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Cluster software list#

Last updated: November 13, 2024

Categories#

We currently provide 390 software modules, in 6 categories, covering 60 fields of science:

  • biology computational biology, cryo-em, genomics, imaging, molecular dynamics, neuroimaging, population genetics
  • chemistry computational chemistry, electrostatics, molecular dynamics, molecular modelling, molecular visualization, tools
  • devel compiler, data, debugger, language, lib, mpi, networking, profiling, text editor
  • math analytics, computational fluid dynamics, data analytics, deep learning, finite element analysis, gis, lib, numerical analysis, numerical library, optimization, simulation, statistics
  • system benchmark, build, checkpointing, cloud interface, compression, containers, data management, document processing, file transfer, ide, imaging, lib, library, media, package manager, pipeline, profiling, remote display, scm, terminal, tools, utilities
  • viz graphics, graphs, imaging, molecular visualization

biology#

Field Module Name Version(s) URL Description
computational biology alphafold 2.3.1
2.3.2
Website AI system developed by DeepMind that predicts a protein’s 3D structure from its amino acid sequence.
computational biology alphamissense 1.0.0
Website AI system developed by DeepMind that predicts a protein’s 3D structure from its amino acid sequence.
computational biology alphapulldown 1.0.3
1.0.4
Website AlphaPulldown is a Python package that streamlines protein-protein interaction screens and high-throughput modelling of higher-order oligomers using AlphaFold-Multimer.
computational biology bcl 3.4.0
Website The Bio Chemical Library (BCL) is a software package that provides unique tools for biological research, such as protein structure determination from sparse experimental data.
computational biology calibur 20120117
Website Efficient tool for finding structural candidate decoys generated from Ab Initio protein structure prediction methods.
computational biology colabfold 2.3.1
Website AI system developed by DeepMind that predicts a protein’s 3D structure from its amino acid sequence.
computational biology cookhla 1.0.1
Website CookHLA is an accurate and efficient HLA imputation method.
computational biology dssp 4.4.7
Website DSSP is an algorithm originally designed by Wolfgang Kabsch and Chris Sander to standardise secondary structure assigment based on atomic coordinates.
computational biology ensembler 1.0.5
Website Software pipeline for automating omics-scale protein modeling and simulation setup.
computational biology foldx 4.0
5.0
Website FoldX provides a fast and quantitative estimation of the importance of the interactions contributing to the stability of proteins and protein complexes.
computational biology interproscan 5.39-77.0
5.50-84.0
Website Functional analysis of proteins by classifying them into families and predicting domains and important sites.
computational biology modeller 10.0
Website MODELLER is used for homology or comparative modeling of protein three-dimensional structures.
computational biology msmbuilder 3.8.0
Website MSMBuilder is an application and python library. It builds statistical models for high-dimensional time-series. The particular focus of the package is on the analysis of atomistic simulations of biomolecular dynamics such as protein folding and conformational change.
computational biology pdbfixer 1.7.0
Website The PDBFixer is an easy to use application for fixing problems in Protein Data Bank files
computational biology phenix 1.21.2
Website Python-based Hierarchical ENvironment for Integrated Xtallography.
computational biology phylip 3.697
Website PHYLIP (the PHYLogeny Inference Package) is a package of programs for inferring phylogenies (evolutionary trees).
computational biology rfdiffusion 1.1.0
Website RFdiffusion is an open source method for structure generation, with or without conditional information (a motif, target etc).
cryo-em relion 3.1.3
4.0.2
Website RELION (for REgularised LIkelihood OptimisatioN, pronounce rely-on) is a software package that employs an empirical Bayesian approach for electron cryo-microscopy (cryo-EM) structure determination.
genomics agat 0.8.0
1.4.0
Website Suite of tools to handle gene annotations in any GTF/GFF format.
genomics ampliconarchitect 1.2
Website Identify one or more connected, focally amplified genomic regions to elucidate the architecture of focal amplifications such as ecDNA.
genomics analyze_motifs 1.0
Website Runs HOMER and kmer enrichment aspects from clip_analysis_legacy to generate useful motif analyses.
genomics annovar 042018
25616
29711
Website ANNOVAR is an efficient software tool to utilize update-to-date information to functionally annotate genetic variants detected from diverse genomes.
genomics antismash 6.0.1
6.1.0
Website antiSMASH allows the rapid genome-wide identification, annotation and analysis of secondary metabolite biosynthesis gene clusters in bacterial and fungal genomes.
genomics anvio 7
8.0.0
Website Anvi’o is an open-source, community-driven analysis and visualization platform for microbial ‘omics.
genomics aracne-ap 072018
Website ARACNe-AP (Algorithm for the Reconstruction of Accurate Cellular Networks with Adaptive Partitioning)
genomics bam-readcount 0.8.0
Website Utility that runs on a BAM or CRAM file and generates low-level information about sequencing data at specific nucleotide positions.
genomics bamtools 2.5.1
Website C++ API and a command-line toolkit for reading, writing, and manipulating BAM (genome alignment) files.
genomics basemount 0.15.96
Website BaseMount is a tool to mount your BaseSpace Sequence Hub data as a Linux file system.
genomics basespace 1.3.0
Website The BaseSpace Sequence Hub CLI supports scripting and programmatic access to BaseSpace Sequence Hub for automation, bulk operations, and other routine functions.
genomics bbmap 38.82
39.01
Website Short read aligner for DNA and RNA-seq data.
genomics bcftools 1.11
1.15
1.16
1.19
Website BCFtools is a program for variant calling and manipulating files in the Variant Call Format (VCF) and its binary counterpart BCF.
genomics bcftools-mocha 1.15
Website BCFtools is a program for variant calling and manipulating files in the Variant Call Format (VCF) and its binary counterpart BCF.
genomics bcl2fastq2 2.2
Website The Illumina bcl2fastq2 Conversion Software v2.20 demultiplexes sequencing data and converts base call (BCL) files into FASTQ files.
genomics bedops 2.4.39
2.4.41
Website Open-source command-line toolkit that performs highly efficient and scalable Boolean and other set operations, statistical calculations, archiving, conversion and other management of genomic data of arbitrary scale.
genomics bedtools2 2.25.0
2.30.0
Website The bedtools utilities are a swiss-army knife of tools for a wide-range of genomics analysis tasks.
genomics bgen 1.1.7
Website Reference implementation of the BGEN format, written in C++.
genomics bicseq2-norm 0.2.4
Website BICseq2-norm is for normalizing potential biases in the sequencing data.
genomics bicseq2-seg 0.7.2
Website BICseq2-seg is for detecting CNVs based on the normalized data given by BICseq2-norm.
genomics bioawk 1.0
Website BWK awk modified for biological data
genomics biobambam2 2.0.87
Website This package contains some tools for processing BAM files.
genomics biolibc 0.2.4
Website Biolibc is a collection of high-quality bricks that can be used to build efficient, robust software applications to replace disposable scripts. Using biolibc, you can easily develop permanent solutions that are easy to use and install, with near-optimal performance, so that no one ever need reinvent that particular wheel. Biolibc also facilitates development of more complex applications by providing many commonly used building blocks, thus releasing you from low-level coding.
genomics bior 5.0.0
Website The Biological Reference Repository (BioR) catalog format is a flexible, readable, indexable, and schema-free format for storing and rapidly accessing arbitrary structured data such as genomic features, diseases, conditions, genetic tests, and drugs.
genomics bismark 0.16.3
Website A tool to map bisulfite converted sequence reads and determine cytosine methylation states.
genomics blast 2.9.0
2.12.0
Website The Basic Local Alignment Search Tool (BLAST) finds regions of local similarity between sequences.
genomics bowtie 2.3.4.3
2.5.0
Website Bowtie 2 is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences.
genomics bracken 2.6.0
2.8.0
Website Bracken (Bayesian Reestimation of Abundance with KrakEN) is a highly accurate statistical method that computes the abundance of species in DNA sequences from a metagenomics sample.
genomics bwa 0.7.17
Website BWA is a software package for mapping low-divergent sequences against a large reference genome, such as the human genome.
genomics cadd 1.6
Website CADD is a tool for scoring the deleteriousness of single nucleotide variants as well as insertion/deletions variants in the human genome.
genomics canu 1.8
Website A single molecule sequence assembler for genomes large and small.
genomics cava 1.2.3
Website CAVA (Clinical Annotation of VAriants) is a lightweight, fast, flexible and easy-to-use Next Generation Sequencing (NGS) variant annotation tool.
genomics cd-hit 4.8.1
Website Program for clustering and comparing protein or nucleotide sequences.
genomics cellranger 3.0.0
4.0.0
5.0.1
6.0.0
7.0.0
8.0.0
Website Set of analysis pipelines that process Chromium single cell data to align reads, generate feature-barcode matrices, perform clustering and other secondary analysis
genomics cellranger-arc 1.0.1
2.0.1
2.0.2
Website Cell Ranger ARC is a set of analysis pipelines that process Chromium Single Cell Multiome ATAC + Gene Expression sequencing data to generate a variety of analyses pertaining to gene expression (GEX), chromatin accessibility, and their linkage.
genomics cellranger-atac 2.1.0
Website Cell Ranger ARC is a set of analysis pipelines that process Chromium Single Cell Multiome ATAC + Gene Expression sequencing data to generate a variety of analyses pertaining to gene expression (GEX), chromatin accessibility, and their linkage.
genomics cellsnp-lite 1.2.2
Website cellsnp-lite was initially designed to pileup the expressed alleles in single-cell or bulk RNA-seq data, which can be directly used for donor deconvolution in multiplexed single-cell RNA-seq data, particularly with vireo, which assigns cells to donors and detects doublets, even without genotyping reference.
genomics centrifuge 1.0.3
Website Rapid and memory-efficient system for the classification of DNA sequences from microbial samples, with better sensitivity than and comparable accuracy to other leading systems.
genomics circexplorer2 2.3.6
Website CIRCexplorer2 is a comprehensive and integrative circular RNA analysis toolset.
genomics circlefinder 1.0
Website A method to identify Circular DNA (Micro DNA) from pair-end high-throughput sequencing data.
genomics circlemap 1.1.4
Website Circle-Map takes as input an alignment of reads to a reference genome (e.g. a BWA-MEM generated BAM file) and like other methods, it will use those alignments to detect cases were the read has been split into two segments (e.g. split reads) to detect genomic rearrangements supporting a circular DNA structure.
genomics cite-seq-count 1.4.4
Website A tool that allows to get UMI counts from a single cell protein assay.
genomics clara-parabricks 4.0.1-1
Website Nvidia Clara Parabricks is an accelerated compute framework that supports applications across the genomics industry, primarily supporting analytical workflows for DNA, RNA, and somatic mutation detection applications.
genomics clipper 2.0.1
Website CLIPper is a tool to define peaks in your CLIP-seq dataset.
genomics clustal-omega 1.2.4
Website Clustal Omega is a new multiple sequence alignment program that uses seeded guide trees and HMM profile-profile techniques to generate alignments between three or more sequences.
genomics cnvkit 0.9.9
Website CNVkit is a Python library and command-line software toolkit to infer and visualize copy number from high-throughput DNA sequencing data.
genomics cobra 2.0
Website Containerized Bioinformatics workflow for Reproducible ChIP,ATAC-seq Analysis
genomics compass 0.9.10.2
Website In-Silico Modeling of Metabolic Heterogeneity using Single-Cell Transcriptomes
genomics concoct 1.1.0
Website CONCOCT “bins” metagenomic contigs. Metagenomic binning is the process of clustering sequences into clusters corresponding to operational taxonomic units of some level.
genomics crossmap 0.6.6
Website CrossMap is a program for genome coordinates conversion between different assemblies (such as hg18 (NCBI36) <=> hg19 (GRCh37)). It supports commonly used file formats including BAM, CRAM, SAM, Wiggle, BigWig, BED, GFF, GTF, MAF VCF, and gVCF.
genomics cufflinks 2.2.2
Website Cufflinks assembles transcripts, estimates their abundances, and tests for differential expression and regulation in RNA-Seq samples.
genomics cutadapt 3.2
3.4
4.0
Website Cutadapt finds and removes adapter sequences, primers, poly-A tails and other types of unwanted sequence from your high-throughput sequencing reads.
genomics cytoscape 3.9.1
Website Cytoscape is an open source software platform for visualizing complex networks and integrating these with any type of attribute data. With Cytoscape, you can load molecular and genetic interaction data sets in many standards formats, project and integrate global datasets and functional annotations, establish powerful visual mappings across these data, perform advanced analysis and modeling and visualize and analyze human-curated pathway datasets.
genomics dapars 0.9.1
Website Dynamitic analysis of Alternative PolyAdenylation from RNA-seq
genomics dcc 0.5.0
Website DCC is a python package intended to detect and quantify circRNAs with high specificity. DCC works with the STAR (Dobin et al., 2013) chimeric.out.junction files which contains chimerically aligned reads including circRNA junction spanning reads.
genomics dcca 0.0.1
Website Deep cross-omics cycle attention model for joint analysis of single-cell multi-omics data.
genomics dchic 1.0.0
Website dcHiC is a tool for differential compartment analysis of Hi-C datasets
genomics deeptools 3.5.0
3.5.1
Website deepTools addresses the challenge of handling the large amounts of data that are now routinely generated from DNA sequencing centers.
genomics depict 1.194
Website an integrative tool that employs predicted gene functions to systematically prioritize the most likely causal genes at associated loci, highlight enriched pathways and identify tissues/cell types where genes from associated loci are highly expressed.
genomics diamond 0.9.14
Website DIAMOND is a sequence aligner for protein and translated DNA searches, designed for high performance analysis of big sequence data.
genomics dram 1.2.4
Website DRAM (Distilled and Refined Annotation of Metabolism) is a tool for annotating metagenomic assembled genomes and VirSorter identified viral contigs.
genomics dropest 0.8.5
Website Pipeline for estimating molecular count matrices for droplet-based single-cell RNA-seq measurements.
genomics ea-utils 1.04
Website Command-line tools for processing biological sequencing data.
genomics eclipanalyzer 1.0
Website This repository contains a series of python based modules to automate the analysis of sequencing data generated from eCLIP (enhanced UV crosslinking and immunoprecipitation) experiments.
genomics eclipidrmergepeaks 0.1.0
Website CWL-defined pipeline for using IDR to produce a set of peaks given two replicate eCLIP peaks.
genomics eclipregionnormalize 0.0.4
Website Pipeline for region-based enrichment. This workflow is defined using CWL v1.0 spec.
genomics emg-viral-pipeline 0.3.0
2.0.0
Website VIRify is a recently developed pipeline for the detection, annotation, and taxonomic classification of viral contigs in metagenomic and metatranscriptomic assemblies.
genomics enhancer-dissection 1.0.0
Website The two programs in this project display variant data, motif data (via highlights).
genomics ensembl-vep 103.1
111.0
Website VEP determines the effect of your variants (SNPs, insertions, deletions, CNVs or structural variants) on genes, transcripts, and protein sequence, as well as regulatory regions.
genomics esm 2.0.1
Website Evolutionary Scale Modeling (esm). Pretrained language models for proteins.
genomics esmfold 1.0.3
Website Evolutionary Scale Modeling (esm). Pretrained language models for proteins.
genomics express 1.5.1
Website eXpress is a streaming tool for quantifying the abundances of a set of target sequences from sampled subsequences.
genomics fastq-pair 1.0
Website Rewrite paired end fastq files to make sure that all reads have a mate and to separate out singletons..
genomics fastq-screen 0.15.2
Website FastQ Screen allows you to screen a library of sequences in FastQ format against a set of sequence databases so you can see if the composition of the library matches with what you expect.
genomics fastqc 0.11.9
Website FastQC aims to provide a simple way to do some quality control checks on raw sequence data coming from high throughput sequencing pipelines.
genomics fastvifi 1.0
Website A software to detect viral infection and integration sites for different viruses. FastViFi relies on ViFi and Kraken2 tools.
genomics fitsne 1.2.1
Website FFT-accelerated Interpolation-based t-SNE (FIt-SNE)
genomics fluxsimulator 1.2.1
Website The Flux Simulator aims at modeling RNA-Seq experiments in silico. Sequencing reads are produced from a reference genome according annotated transcripts.
genomics gatk 3.8
3.8.1
4.0.11.0
4.1.7.0
4.4.0.0
4.5.0.0
Website The GATK is the industry standard for identifying SNPs and indels in germline DNA and RNAseq data.
genomics gcta 1.94.1
Website a tool for Genome-wide Complex Trait Analysis
genomics gdc-client 1.6.1
Website Illumina Array Analysis Platform cli
genomics geneformer 0.1.0
Website Geneformer is a foundation transformer model pretrained on a large-scale corpus of ~30 million single cell transcriptomes to enable context-aware predictions in settings with limited data in network biology.
genomics genomebrowse 3.1.0
Website The free Golden Helix GenomeBrowse tool delivers stunning visualizations of your genomic data that give you the power to see what is occurring at each base pair in your samples.
genomics genrich 0.6.1
Website Genrich is a peak-caller for genomic enrichment assays e.g. ChIP-seq, ATAC-seq. It analyzes alignment files generated following the assay and produces a file detailing peaks of significant enrichment.
genomics gethomologues 3.6.1
Website Get_Homologues is a versatile software package for pan-genome analysis.
genomics gffcompare 0.10.1
Website The program gffcompare can be used to compare, merge, annotate and estimate accuracy of one or more GFF files (the “query” files), when compared with a reference annotation (also provided as GFF).
genomics gistic 2.0.23
Website The GISTIC module identifies regions of the genome that are significantly amplified or deleted across a set of samples.
genomics glow 1.1.2
Website Glow is an open-source toolkit for working with genomic data at biobank-scale and beyond.
genomics gmap-gsnap 2016-05-01
2021-12-17
Website A genomic mapping and alignment program for mRNA and EST sequences.
genomics gossamer 1.0.0
Website Gossamer is an application for doing de novo assembly of high throughput sequencing data.
genomics gridss 2.13.2
Website GRIDSS is a module software suite containing tools useful for the detection of genomic rearrangements.
genomics hail 0.2.64
Website Hail is an open-source library for scalable data exploration and analysis, with a particular emphasis on genomics.
genomics haslr 0.8a1
Website HASLR is a tool for rapid genome assembly of long sequencing reads.
genomics hicexplorer 3.7.4
Website A set of tools for the analysis and visualization of chromosome conformation data
genomics hisat2 2.0.5
2.2.1
Website HISAT2 is a fast and sensitive alignment program for mapping next-generation sequencing reads (both DNA and RNA) to a population of human genomes as well as to a single reference genome.
genomics hmmer 3.3.2
Website HMMER is used for searching sequence databases for sequence homologs, and for making sequence alignments.
genomics homer 4.9.1
4.11.1
5.1
Website HOMER (Hypergeometric Optimization of Motif EnRichment) is a suite of tools for Motif Discovery and next-gen sequencing analysis.
genomics htseq 0.13.5
Website HTSeq is a Python package for analysis of high-throughput sequencing data.
genomics htslib 1.9
1.10.2
1.11
1.15
1.2
Website HTSlib is an implementation of a unified C library for accessing common file formats, such as SAM, CRAM and VCF, used for high-throughput sequencing data, and is the core library used by samtools and bcftools.
genomics humann 3.0.0a4
3.8
Website HUMAnN 3.0 is the next generation of HUMAnN (HMP Unified Metabolic Analysis Network).
genomics iaap-cli 1.1.0
Website Illumina Array Analysis Platform cli
genomics idr 2.0.2
Website The IDR (Irreproducible Discovery Rate) framework is a unified approach to measure the reproducibility of findings identified from replicate experiments and provide highly stable thresholds based on reproducibility.
genomics igv 2.16.2
2.17.4
Website The Integrative Genomics Viewer (IGV) is a high-performance, easy-to-use, interactive tool for the visual exploration of genomic data.
genomics illumina-utils 2.1
2.11
Website Software to perform various operations on FASTQ files (such as demultiplexing raw Illumina files, merging partial or complete overlaps, and/or performing quality filtering).
genomics impute 2.3.2
Website IMPUTE version 2 is a genotype imputation and haplotype phasing program.
genomics impute5 1.1.5
Website IMPUTE 5 is a genotype imputation method that can scale to reference panels with millions of samples.
genomics jvarkit 2021.10.13
Website Java utilities for bioinformatics.
genomics k2mem 1.0.0
Website K2Mem is a variant of Kraken 2 taxonomic sequence classification system that can learn from the previous classifications.
genomics kaiju 1.7.2
Website Kaiju is a program for the taxonomic classification of high-throughput sequencing reads, e.g., Illumina or Roche/454, from whole-genome sequencing of metagenomic DNA.
genomics kallisto 0.46.1
Website kallisto is a program for quantifying abundances of transcripts from RNA-Seq data, or more generally of target sequences using high-throughput sequencing reads.
genomics king 2.1.2
Website Kinship-based INference for Gwas
genomics kneaddata 0.10.0
Website KneadData is a tool designed to perform quality control on metagenomic and metatranscriptomic sequencing data, especially data from microbiome experiments.
genomics kobas 3.0.3
Website KOBAS (KEGG Orthology-Based Annotation System) is a tool for the annotation of sequences by KEGG Orthology terms. KOBAS also identifies enriched pathways and uses KEGG Pathway, PID, BioCyc, Reactome, Panther and human data from OMIM, KEGG Disease, FunDO, GAD, NHGRI, and GWAS databases.
genomics kraken2 2.1.1
2.1.3
Website Kraken 2 is the newest version of Kraken, a taxonomic classification system using exact k-mer matches to achieve high accuracy and fast classification speeds.
genomics krakenuniq 0.5.8
Website Metagenomics classifier with unique k-mer counting for more specific results.
genomics lefse 1.1.2
Website None
genomics lep-map 3
Website Lep-MAP3 (LM3) is a novel linkage map construction software suite.
genomics lumpy 0.2.13
Website A probabilistic framework for structural variant discovery.
genomics macs2 2.2.6
Website Model-based Analysis for ChIP-Seq
genomics macs3 3.0.0
Website Model-based Analysis for ChIP-Seq
genomics maftools 2.10.0
Website Provides a comprehensive set of functions for processing MAF files and to perform most commonly used analyses in cancer genomics.
genomics magicblast 1.5.0
Website Magic-BLAST is a tool for mapping large next-generation RNA or DNA sequencing runs against a whole genome or transcriptome.
genomics magma 1.1
Website MAGMA is a tool for gene analysis and generalized gene-set analysis of GWAS data. It can be used to analyse both raw genotype data as well as summary SNP p-values from a previous GWAS or meta-analysis.
genomics manorm 1.1.4
Website A robust model for quantitative comparison of ChIP-Seq data sets.
genomics megahit 1.1.1
1.2.9
Website MEGAHIT is an ultra-fast and memory-efficient NGS assembler. It is optimized for metagenomes, but also works well on generic single genome assembly (small or mammalian size) and single-cell assembly.
genomics meme 5.3.1
5.4.1
Website The MEME Suite allows the biologist to discover novel motifs in collections of unaligned nucleotide or protein sequences, and to perform a wide variety of other motif-based analyses.
genomics metagenemark 3.38
Website Metagenomic sequences can be analyzed by MetaGeneMark , the program optimized for speed.
genomics metaphlan 2.6.0
4.0.0
Website MetaPhlAn is a computational tool for profiling the composition of microbial communites from metagenomic shotgun sequencing data with species level resolution.
genomics metilene 0.2.6
Website Fast and sensitive detection of differential DNA methylation
genomics migec 1.2.9
Website Molecular Identifier Guided Error Correction pipeline
genomics minpath 1.5
Website MinPath (Minimal set of Pathways) is a parsimony approach for biological pathway reconstructions using protein family predictions, achieving a more conservative, yet more faithful, estimation of the biological pathways for a query dataset.
genomics mira 4.0.2
Website MIRA is a whole genome shotgun and EST sequence assembler for Sanger, 454, Solexa (Illumina), IonTorrent data and PacBio.
genomics mitohpc 1.0.0
Website MitoHPC is used for Calling Mitochondrial Homplasmies and Heteroplasmies, Mitochondrial High Performance Caller
genomics mixcr 2.1.11
4.1.0
Website MiXCR is a universal software for fast and accurate analysis of raw T- or B- cell receptor repertoire sequencing data.
genomics mosaik 0.9.0891
Website MOSAIK is a reference-guided aligner for next-generation sequencing technologies.
genomics mtoolbox 1.2.1
Website A bioinformatics pipeline to analyze mtDNA from NGS data.
genomics multiqc 1.11
1.17
1.18
Website MultiQC is a tool to create a single report with interactive plots for multiple bioinformatics analyses across many samples.
genomics muscle 3.8.1551
Website MUSCLE is widely-used software for making multiple alignments of biological sequences.
genomics mutsig2cv 1.0
Website MutSig2CV analyzes somatic point mutations discovered in DNA sequencing, identifying genes mutated more often than expected by chance given inferred background mutation processes.
genomics ngmerge 0.3
Website Merging paired-end reads and removing sequencing adapters
genomics octopus 0.7.4
Website Haplotype-based variant calling
genomics oncoimpact 0.9.4
Website OncoIMPACT is a first-in-class algorithmic framework that nominates patient-specific driver genes by integratively modeling genomic mutations (point, structural and copy-number) and the resulting perturbations in transcriptional programs via defined molecular networks.
genomics pacbioapps latest
Website PacBio Secondary Analysis Tools on Bioconda
genomics parsebiosciences 1.1.2
Website Parse's single cell kits facilitate scalable single cell RNA-seq, enabling you to go all the way from samples in a single cell suspension to sequencing data.
genomics pgap 2021-07-01
Website The NCBI Prokaryotic Genome Annotation Pipeline is designed to annotate bacterial and archaeal genomes (chromosomes and plasmids).
genomics phenolyzer 0.4.0
Website Phenolyzer is a software that implements phenotype-based prioritization of candidate genes for human diseases.
genomics phispy 4.2.21
Website PhiSpy identifies prophages in Bacterial (and probably Archaeal) genomes. Given an annotated genome it will use several approaches to identify the most likely prophage regions..
genomics picard 2.6.0
2.25.0
Website A set of command line tools (in Java) for manipulating high-throughput sequencing (HTS) data and formats such as SAM/BAM/CRAM and VCF.
genomics plink 1.9.0
2.0.0
Website PLINK is a free, open-source whole genome association analysis toolset, designed to perform a range of basic, large-scale analyses in a computationally efficient manner.
genomics prepareaa 1.0
Website A multithread-enabled quickstart tool for AmpliconArchitect.
genomics prodigal 2.6.3
Website Fast, reliable protein-coding gene prediction for prokaryotic genomes.
genomics prokka 1.14.6
Website Prokka is a software tool to annotate bacterial, archaeal and viral genomes quickly and produce standards-compliant output files.
genomics prscs 1.0.0
Website PRS-CS is a Python based command line tool that infers posterior SNP effect sizes under continuous shrinkage (CS) priors using GWAS summary statistics and an external LD reference panel.
genomics prsice2 2.3.3
Website Polygenic Risk Score software.
genomics pureclip 1.3.1
Website PureCLIP is a tool to detect protein-RNA interaction footprints from single-nucleotide CLIP-seq data, such as iCLIP and eCLIP..
genomics pyani 0.2.12
Website Application and Python module for whole-genome classification of microbes using Average Nucleotide Identity.
genomics pyega3 4.0.5
Website The pyEGA3 download client is a python-based tool for viewing and downloading files from authorized EGA datasets. pyEGA3 uses the EGA Data API and has several key features.
genomics pyscenic 0.12.1
Website pySCENIC is a lightning-fast python implementation of the SCENIC pipeline which enables biologists to infer transcription factors, gene regulatory networks and cell types from single-cell RNA-seq data.
genomics qctool 2.0.8
Website QCTOOL is a command-line utility program for manipulation and quality control of gwas datasets and other genome-wide data.
genomics qiime2 2020.11
2024.2
Website Qiime2 is a next-generation microbiome bioinformatics platform.
genomics regenie 3.1.1
Website regenie is a C++ program for whole genome regression modelling of large genome-wide association studies.
genomics repeatmasker 4.1.5
Website RepeatMasker is a program that screens DNA sequences for interspersed repeats and low complexity DNA sequences.
genomics rgi 6.0.2
Website This application is used to predict antibiotic resistome(s) from protein or nucleotide data based on homology and SNP models.
genomics rhapsody 0.9.8
Website Python program, based on ProDy, for pathogenicity prediction of human missense variants.
genomics rsem 1.3.3
Website RSEM RNA-Seq by Expectation-Maximization
genomics rseqc 3.0.1
4.0.0
Website RNA Sequence Quality Control Package
genomics rvtests 2.1.0
Website Rvtests, which stands for Rare Variant tests, is a flexible software package for genetic association analysis for sequence datasets.
genomics sai-10k-calc 1.1
Website Calculator for the prediction of pseudoexonization, intron retention, and exon deletion.
genomics saige 1.2.0
Website SAIGE is an R package developed with Rcpp for genome-wide association tests in large-scale data sets and biobanks.
genomics salmon 1.5.2
Website Salmon is a wicked-fast program to produce a highly-accurate, transcript-level quantification estimates from RNA-seq data.
genomics sambamba 0.8.1
Website Sambamba is a high performance highly parallel robust and fast tool (and library), written in the D programming language, for working with SAM and BAM files.
genomics samblaster 0.1.26
Website samblaster is a fast and flexible program for marking duplicates in read-id grouped1 paired-end SAM files.
genomics samtools 1.11
1.15.1
1.2
Website Samtools is a suite of programs for interacting with high-throughput sequencing data.
genomics scGPT 0.1.2
Website scGPT, a Python package for single-cell multi-omic data analysis using pretrained foundation models.
genomics scvelo 0.2.4
Website scVelo is a scalable toolkit for RNA velocity analysis in single cells, based on Bergen et al. (Nature Biotech, 2020).
genomics seqkit 0.15.0
Website A cross-platform and ultrafast toolkit for FASTA/Q file manipulation
genomics seqtk 1.3
Website Seqtk is a fast and lightweight tool for processing sequences in the FASTA or FASTQ format
genomics shapeit 2.904
Website SHAPEIT is a fast and accurate method for estimation of haplotypes (aka phasing) from genotype or sequencing data.
genomics shapeit4 4.2.2
Website SHAPEIT4 is a fast and accurate method for estimation of haplotypes (aka phasing) for SNP array and high coverage sequencing data. The version 4 is a refactored and improved version of the SHAPEIT algorithm with multiple key additional features.
genomics shiftx2 1.13
Website SHIFTX2 predicts both the backbone and side chain 1H, 13C and 15N chemical shifts for proteins using their structural (PDB) coordinates as input.
genomics snakemake 7.3.8
Website The Snakemake workflow management system is a tool to create reproducible and scalable data analyses. Workflows are described via a human readable, Python based language. They can be seamlessly scaled to server, cluster, grid and cloud environments, without the need to modify the workflow definition. Finally, Snakemake workflows can entail a description of required software, which will be automatically deployed to any execution environment.
genomics snpeff 4.3
5.2
Website SnpEff is a variant annotation and effect prediction tool.
genomics snphylo 20141127
Website SNPhylo users can construct a phylogenetic tree from a file containing huge SNP data.
genomics snptest 2.5.6
Website SNPTEST is a program for the analysis of single SNP association in genome-wide studies.
genomics spaceranger 1.2.2
1.3.1
2.0.0
2.0.1
2.1.0
Website Space Ranger is a set of analysis pipelines that process Visium Spatial Gene Expression data with brightfield and fluorescnce microscope images.
genomics spades 3.15.0
3.15.2
3.15.4
Website SPAdes is an assembly toolkit containing various assembly pipelines.
genomics spliceai 1.3.1
Website A deep learning-based tool to identify splice variants.
genomics sratoolkit 3.0.0
3.0.10
3.1.0
3.1.1
Website Sequence Read Archive Toolkit(SRA)
genomics staphb-tk 1.3.3
Website The StaPH-B ToolKit is a Python library of commonly used bioinformatics tools that help to inform public health action.
genomics star 2.5.2
2.5.3a
2.6.1b
2.7.3a
2.7.9a
2.7.10b
Website Spliced Transcripts Alignment to a Reference
genomics star-fusion 1.10.1
Website STAR-Fusion further processes the output generated by the STAR aligner to map junction reads and spanning reads to a reference annotation set.
genomics stringtie 2.1.4
Website High-performance read alignment, quantification and mutation discovery, next-gen sequencing data.
genomics subread 2.0.1
2.0.6
Website High-performance read alignment, quantification and mutation discovery, next-gen sequencing data.
genomics svaba 1.1.3
Website SvABA - Structural variation and indel analysis by assembly.
genomics taxonkit 0.14.2
Website A Practical and Efficient NCBI Taxonomy Toolkit also supports creating NCBI style taxdump files for custom taxonomies.
genomics tophat 2.1.1
Website TopHat is a fast splice junction mapper for RNA-Seq reads.
genomics trf 4.09
Website Tandem Repeats Finder is a program to locate and display tandem repeats in DNA sequences.
genomics trimgalore 0.6.6
Website Trim Galore is a perl wrapper around Cutadapt and FastQC to consistently apply adapter and quality trimming to FastQ files, with extra functionality for RRBS data.
genomics trimmomatic 0.38
Website A flexible read trimming tool for Illumina NGS data
genomics ucsctools 1.0
Website Tools from the UCSC browser.
genomics umi_tools 1.1.2
Website Tools for dealing with Unique Molecular Identifiers
genomics varscan 2.4.0
2.4.1
2.4.2
2.4.3
2.4.4
Website VarScan is a platform-independent mutation caller for targeted, exome, and whole-genome resequencing data.
genomics varseq 2.6.1
Website The free Golden Helix GenomeBrowse tool delivers stunning visualizations of your genomic data that give you the power to see what is occurring at each base pair in your samples.
genomics vcf-split 0.1.5
Website vcf-split splits a combined-sample VCF stream into single-sample VCF files.
genomics vcftools 0.1.16
Website A set of tools written in Perl and C++ for working with VCF files, such as those generated by the 1000 Genomes Project.
genomics velocyto 0.17
Website Velocyto is a library for the analysis of RNA velocity.
genomics vicaller 1.1
Website Viral Integration caller (VIcaller) is a bioinformatics tool designed for identifying viral integration events using high-throughput sequencing (HTS) data.
genomics vifi 072018
Website ViFi is a tool for detecting viral integration and fusion mRNA sequences from Next Generation Sequencing data.
genomics virsorter 2.2.4
Website Mining viral signal from microbial genomic data.
genomics virusseq 072018
Website A new algorithmic tool for detecting known viruses and their integration sites using next-generation sequencing of human cancer tissue.
imaging deeplabcutnogui 2.2
2.3.9
Website Markerless pose estimation of user-defined features with deep learning for all animals including humans
imaging mipav 7.3.0
11.0.3
Website The MIPAV (Medical Image Processing, Analysis, and Visualization) application enables quantitative analysis and visualization of medical images of numerous modalities such as PET, MRI, CT, or microscopy.
imaging mitograph 3.0
Website MitoGraph is a fully automated image processing method and software dedicated to calculating the three-dimensional morphology of mitochondria in live cells.
imaging monai 1.3.2
Website MONAI is a set of open-source, freely availalbe collaborative frameworks built for accelerating research ad clinical collaboration in Medical Imaging.
imaging openslide 3.4.1
Website OpenSlide is a C library that provides a simple interface to read whole-slide images (also known as virtual slides).
imaging seacr 1.3
Website SEACR. Sparse Enrichment Analysis for CUT&RUN
molecular dynamics gmx_mmpbsa 1.6.3
Website gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
neuroimaging afni 16.2.16
19.3.18
21.0.04
22.3.07
24.1.02
Website AFNI (Analysis of Functional NeuroImages)
neuroimaging ants 2.2.0
2.4.0
2.5.2
Website ANTs is a medical image registration and segmentation toolkit.
neuroimaging camino 1.0
Website Camino is an open-source software toolkit for diffusion MRI processing.
neuroimaging clara-train-sdk 1.7.1
Website NVIDIA Clara Train SDK provides a training framework to help accelerate deep learning training and inference for medical imaging use cases.
neuroimaging dcm2nii 122015
Website dcm2nii is a popular tool for converting images from the complicated formats used by scanner manufacturers (DICOM, PAR/REC) to the simple NIfTI format used by many scientific tools.
neuroimaging dcm2niix 1.0.20210317
1.0.20240327
Website dcm2niix is designed to convert neuroimaging data from the DICOM format to the NIfTI format.
neuroimaging dcmtk 3.6.1
Website This DICOM ToolKit (DCMTK) package consists of source code, documentation and installation instructions for a set of software libraries and applications implementing part of the DICOM/MEDICOM Standard.
neuroimaging dke 2.6
Website Diffusional Kurtosis Estimator (DKE) is a software tool for post-processing diffusional kurtosis imaging (DKI) datasets that includes a suite of command-line programs along with a graphical user interface (GUI).
neuroimaging dsistudio latest
Website DSI Studio is a tractography software tool that maps brain connections and correlates findings with neuropsychological disorders.
neuroimaging fix 1.06
Website FIX attempts to auto-classify ICA components into good vs bad components, so that the bad components can be removed from the 4D FMRI data.
neuroimaging fmriprep 20.2.3
21.0.2
22.0.1
22.0.2
Website fMRIPrep is a functional magnetic resonance imaging (fMRI) data preprocessing pipeline that is designed to provide an easily accessible, state-of-the-art interface that is robust to variations in scan acquisition protocols and that requires minimal user input, while providing easily interpretable and comprehensive error and output reporting.
neuroimaging freesurfer 6.0.0
7.1.0
7.2.0
7.3.2
7.4.1
Website An open source neuroimaging toolkit for processing, analyzing, and visualizing human brain MR images.
neuroimaging fsl 5.0.11
6.0.4.singularity
6.0.4
6.0.7.11
Website FSL is a comprehensive library of analysis tools for FMRI, MRI and DTI brain imaging data.
neuroimaging fsleyes 1.1.0
Website FSLeyes (pronounced fossilise) is the new FSL image viewer for 3D and 4D data (replacing FSLView). It does not perform any processing or analysis of images - that is done by separate tools.
neuroimaging gradunwarp 1.2.0
Website gradunwarp is a Python/Numpy package used to unwarp the distorted volumes (due to the gradient field inhomogenities).
neuroimaging ismrmrd 1.0.1
Website The siemens_to_ismrmrd convertor is used to convert data from Siemens raw data format into ISMRMRD raw data format.
neuroimaging mne 0.22.0
Website Open-source Python package for exploring, visualizing, and analyzing human neurophysiological data; MEG, EEG, sEEG, ECoG, NIRS, and more.
neuroimaging pyradiomics 3.0.1
Website Open-source python package for the extraction of Radiomics features from 2D and 3D images and binary masks.
neuroimaging simnibs 3.2.5
Website SimNIBS is a free and open source software package for the Simulation of Non-invasive Brain Stimulation.
neuroimaging workbench 1.4.2
2.0.0
Website Connectome Workbench is an open source, freely available visualization and discovery tool used to map neuroimaging data
population genetics eigensoft 7.2.1
8.0
Website The EIGENSOFT package combines functionality from our population genetics methods (Patterson et al. 2006) and our EIGENSTRAT stratification correction method (Price et al. 2006).

chemistry#

Field Module Name Version(s) URL Description
computational chemistry gamess 2023R2
Website The General Atomic and Molecular Electronic Structure System is a general ab initio quantum chemistry package.
computational chemistry schrodinger 2024-1
Website Small Molecule Drug Discovery Suite
electrostatics apbs 1.5
Website APBS (Adaptive Poisson-Boltzmann Solver) solves the equations of continuum electrostatics for large biomolecular assemblages.
electrostatics pdb2pqr 2.1.1
Website PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
molecular dynamics ambertools 24
Website A suite that can be used to carry out complete molecular dynamics simulations.
molecular dynamics brer 0.0.7
Website Python package for running bias-resampling ensemble refinement (BRER) simulations
molecular dynamics catdcd 4.0
Website Catdcd functions much like the Unix cat command; it concatenates DCD files into a single DCD file.
molecular dynamics gromacs 2019.6
2021.1
2021.2
2022.5
2023.0
2024.2
Website A free and open-source software suite for high-performance molecular dynamics and output analysis.
molecular dynamics gromacs-ramd 2020.5
Website Random Acceleration Molecular Dynamics (RAMD)
molecular dynamics mdanalysis 1.0.0
2.3.0
2.7.0
Website MDAnalysis is an object-oriented Python library to analyze trajectories from molecular dynamics (MD) simulations in many popular formats.
molecular dynamics mdtraj 1.10.0
Website MDTraj is a python library that allows users to manipulate molecular dynamics (MD) trajectories.
molecular dynamics namd2 2.13
2.14-cuda-mpi
2.14-mpi
2.14
Website NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.
molecular dynamics namd3 3.0-cuda
3.0
Website NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.
molecular dynamics plumed 2.7.1
2.8.2
2.9.0
2.9.1
Website The community-developed PLUgin for MolEcular Dynamics
molecular modelling charm 50
Website A molecular simulation program with broad application to many-particle systems with a comprehensive set of energy functions, a variety of enhanced sampling methods, and support for multi-scale techniques including QM/MM, MM/CG, and a range of implicit solvent models.
molecular modelling chimera 1.15
Website UCSF Chimera is a program for the interactive visualization and analysis of molecular structures and related data, including density maps, trajectories, and sequence alignments.
molecular modelling chimerax 1.8
Website ChimeraX is a visualization program for molecular structures and related data, including density maps, trajectories, and sequence alignments.
molecular modelling coot 0.9.8.92
Website Coot is for macromolecular model building, model completion and validation, particularly suitable for protein modelling using X-ray data.
molecular modelling openmm 7.1.1
7.7.0
8.1.2
Website A high-performance toolkit for molecular simulation. Use it as an application, a library, or a flexible programming environment.
molecular visualization vmd 1.9.3
Website VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.
tools openbabel 2.4.1
Website Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

devel#

Field Module Name Version(s) URL Description
compiler binutils 2.37
Website The GNU Binary Utilities, or binutils, are a set of programming tools for creating and managing binary programs, object files, libraries, profile data, and assembly source code.
compiler gcc 9.3.0
9.5.0
Website The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Ada, Go, and D, as well as libraries for these languages.
compiler intel 2021.1.1
Website Intel Compiler Family (C/C++/Fortran for x86_64)
data netcdf/gcc/64 4.7.4
Website NetCDF (Network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data.
data netcdf/intel/64 4.7.4
Website NetCDF (Network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data.
data pnetcdf 1.12.1
Website PnetCDF is a high-performance parallel I/O library for accessing files in format compatibility
debugger gdb gcc/64/12.1
Website GDB, the GNU Project debugger, allows you to see what is going on inside another program while it executes -- or what another program was doing at the moment it crashed.
debugger valgrind 3.16.1
Website Dynamic memory testing and debugging tools
language cuda 7.5
8.0
9.1
11.0.2
11.1.1
11.2.2
11.5.0
11.7.0
11.8.0
12.3
Website NVIDIA CUDA Toolkit for Linux
language go 1.15.6
1.22.2
Website open source programming language
language jdk 11.0.11
17.0.8
22.0.2
Website Java is a high-level, class-based, object-oriented programming language that is designed to have as few implementation dependencies as possible.
language julia 1.10.2
1.10.4
Website The Julia programming language is a flexible dynamic language, appropriate for scientific and numerical computing, with performance comparable to traditional statically-typed languages.
language lua 5.1.4.9
5.4.3
Website Lua is a powerful, efficient, lightweight, embeddable scripting language. It supports procedural programming, object-oriented programming, functional programming, data-driven programming, and data description.
language openjdk 16.0.1
17.0.5.8
19.36.2238
21.0.2
Website Java™ is the world's leading programming language and platform. AdoptOpenJDK uses infrastructure, build and test scripts to produce prebuilt binaries from OpenJDK™ class libraries and a choice of either OpenJDK or the Eclipse OpenJ9 VM..
language perl 5.26.1
Website Perl is a highly capable, feature-rich programming language with over 30 years of development.
language python intel-2021.1
2.7.18
3.9.1
Website scientific scripting package
lib boost openmpi/gcc/1.75.0
impi/intel/1.75.0
Website Boost provides free peer-reviewed portable C++ source libraries.
lib hdf5/impi/intel/64 1.12.0
Website General purpose library and file format for storing scientific data.
lib hdf5/openmpi/gcc/64 1.12.0
Website General purpose library and file format for storing scientific data.
lib nccl 2.8.4-11.1.1
Website The NVIDIA Collective Communication Library (NCCL) implements multi-GPU and multi-node communication primitives optimized for NVIDIA GPUs and Networking.
lib opencv 4.5.1
Website Open Source Computer Vision Library
mpi impi 2021.1.1
Website Intel MPI Library (C/C++/Fortran for x86_64)
mpi openmpi gcc/64/4.1.0
Website OpenMPI Library (C/C++/Fortran for x86_64)
networking pmix 3.1.6
5.0.2
Website Fabric communication services
networking ucx 1.9.0
1.14.1
Website Fabric communication services
profiling intel-advisor 2021.1.1
Website Intel Advisor
text editor emacs 26.3
27.1
Website An extensible, customizable, free/libre text editor — and more.

math#

Field Module Name Version(s) URL Description
analytics arrow 4.0.0
Website Apache Arrow defines a language-independent columnar memory format for flat and hierarchical data, organized for efficient analytic operations on modern hardware like CPUs and GPUs.
computational fluid dynamics ansys 2021R1
2022R1
Website CAE/multiphysics engineering simulation software for product design, testing and operation
data analytics spark hadoop3.2/3.1.2
Website Apache Spark™ is a unified analytics engine for large-scale data processing
deep learning aif360 0.5.0
Website The AI Fairness 360 toolkit is an extensible open-source library containing techniques developed by the research community to help detect and mitigate bias in machine learning models throughout the AI application lifecycle.
deep learning cudnn 8.0.5-11.0.2
8.0.5-11.1.1
8.1.0-11.2.2
8.3.0-11.5.0
8.6.0-11.x
8.9.3-11.x
8.9.7-12.x
9.1.1-12.x
Website GPU-accelerated library of primitives for deep neural networks.
deep learning libtensorflowcc 1.14.0
Website TensorFlow is an end-to-end open source platform for machine learning.
deep learning mxnet 1.8.0
Website A truly open source deep learning framework suited for flexible research prototyping and production.
deep learning pytorch 0.4.1
1.7.1
1.8.1
1.9.1
1.13.0
2.0.1
2.4.0
Website PyTorch - An open source machine learning framework that accelerates the path from research prototyping to production deployment.
deep learning rapids 21.12
Website The RAPIDS suite of open source software libraries gives you the freedom to execute end-to-end data science and analytics pipelines entirely on GPUs.
deep learning tensorflow 1.9.0
2.4.1
2.7.0
2.9.1
2.16.1
Website TensorFlow is an end-to-end open source platform for machine learning.
finite element analysis febiostudio 2.7
Website FEBio is a software tool for nonlinear finite element analysis in biomechanics and biophysics and is specifically focused on solving nonlinear large deformation problems in biomechanics and biophysics.
finite element analysis lsdyna 8.0.0
8.1.0
9.0.1
9.3.1
10.2.0
11.2.0
12.0.0
13.1.1
14.1.0
Website Advanced general-purpose multiphysics simulation software.
finite element analysis lsprepost 4.8.17
Website finite element analysis
gis gdal 2.4.4
3.8.5
Website GDAL is a translator library for raster and vector geospatial data formats
gis geos 3.9.1
Website GEOS is a C/C++ library for computational geometry with a focus on algorithms used in geographic information systems (GIS) software.
gis proj 5.1.0
9.4.0
Website PROJ is a generic coordinate transformation software that transforms geospatial coordinates from one coordinate reference system (CRS) to another.
gis udunits 2.2.28
Website The UDUNITS-2 package provides support for units of physical quantities.
lib fftw/impi/intel/64 2.1.5
3.3.9
Website Numerical library, contains discrete Fourier transformation
lib fftw/openmpi/gcc/64 3.3.9
Website Numerical library, contains discrete Fourier transformation
numerical analysis mcr v81
v83
v84
v93
v96
v97
v99
v713
v717
Website The MATLAB Runtime is a standalone set of shared libraries that enables the execution of compiled MATLAB, Simulink applications, or components.
numerical analysis mosek 8
Website MOSEK solves all your LPs, QPs, SOCPs, SDPs and MIPs. Includes interfaces to C, C++, Java, MATLAB, .NET, Python and R.
numerical analysis mplus 8.3
Website Mplus is a latent variable modeling program
numerical library blas 3.9.0
Website The BLAS (Basic Linear Algebra Subprograms) are routines that provide standard building blocks for performing basic vector and matrix operations.
numerical library glpk 4.65
Website The GLPK (GNU Linear Programming Kit) package is intended for solving large-scale linear programming (LP), mixed integer programming (MIP), and other related problems.
numerical library gsl 2.6
2.7
Website The GNU Scientific Library (GSL) is a numerical library for C and C++ programmers.
numerical library lapack 3.9.0
3.10.1
Website LAPACK (Linear Algebra Package) is a standard software library for numerical linear algebra.
numerical library mkl 2021.1.1
Website Intel oneAPI Math Kernel Library
numerical library openblas 0.3.13
0.3.27
Website OpenBLAS is an optimized BLAS (Basic Linear Algebra Subprograms) library based on GotoBLAS2 1.13 BSD version.
optimization nlopt 2.7.1
Website NLopt is a free/open-source library for nonlinear optimization.
simulation geant4 10.4.2
Website Geant4 is a toolkit for the simulation of the passage of particles through matter.
statistics jags 4.3.1
Website Just another Gibbs sampler (JAGS) is a program for simulation from Bayesian hierarchical models using Markov chain Monte Carlo (MCMC).
statistics R 4.0.4
4.1.1
4.2.1
4.3.1
4.3.3
4.4.0
Website statistical computing package
statistics rstudio 2022.02.1-461
Website RStudio is an integrated development environment (IDE) for R.
statistics rstudio-server 2022.12.0-353
2023.03.0-386
2023.06.0-421
2023.12.0-369
2023.12.1-402
2024.04.1-748
2024.04.2-764
Website RStudio Server enables you to provide a browser based interface to a version of R running on a remote Linux server, bringing the power and productivity of the RStudio IDE to server-based deployments of R.
statistics sas 94-15.2
Website Providing a scalable, integrated software environment designed for data access, transformation, and reporting.
statistics spm 12
Website The SPM software package has been designed for the analysis of brain imaging data sequences.

system#

Field Module Name Version(s) URL Description
benchmark ior 3.0.1
Website IOR is a parallel IO benchmark that can be used to test the performance of parallel storage systems using various interfaces and access patterns.
build cmake 3.19.2
3.22.2
3.30.3
Website tool for generation of files from source
build patch 2.7.6
Website Patch takes a patch file containing a difference listing produced by the diff program and applies those differences to one or more original files, producing patched versions.
checkpointing dmtcp 2.6.0
Website DMTCP (Distributed MultiThreaded Checkpointing) transparently checkpoints a single-host or distributed computation in user-space -- with no modifications to user code or to the O/S.
cloud interface awscli 2.1.37
2.7.32
Website AWS Command Line Interface (AWS CLI) is a unified tool to manage your AWS services.
cloud interface google-cloud-sdk 335.0.0
393.0.0
Website This is the google-cloud SDK for google cloud computing and cli access using gcloud
compression pigz 2.6
Website pigz, which stands for parallel implementation of gzip, is a fully functional replacement for gzip that exploits multiple processors and multiple cores to the hilt when compressing data.
containers apptainer 1.3.0
Website A tool for running containers on a hpc system.
containers singularity 3.7.1
Website A tool for running containers on a hpc system.
data management mpifileutils 0.11
Website mpiFileUtils provides both a library called libmfu and a suite of MPI-based tools to manage large datasets, which may vary from large directory trees to large files.
document processing texinfo 7.1
Website Texinfo uses a single source file to produce output in a number of formats.
document processing texlive 2020
2024
Website TeX Live is intended to be a straightforward way to get up and running with the TeX document production system.
file transfer aspera-connect 3.11.2.63
Website High-performance transfer client
file transfer globus-cli 1.0
Website The CLI provides an interface to Globus services from the shell, and is suited to both interactive and simple scripting use cases. It is open source and available at https://github.com/globus/globus-cli
file transfer globusconnect 3.2.2
3.2.5
Website Globus Connect Personal turns your laptop or other personal computer into a Globus endpoint and allows you to transfer and share files easily.
file transfer rclone 1.57.0
1.67.0
Website Rclone is a command line program to manage files on cloud storage.
ide code-server 4.12.0
4.20.0
4.92.2
Website Run VS Code on any machine anywhere and access it in the browser.
ide spyder 5.1.5
5.5.5
Website Spyder is a free and open source scientific environment written in Python, for Python, and designed by and for scientists, engineers and data analysts.
imaging giflib 4.2.3
Website A library and utilities for processing GIFs.
lib libevent 2.0.22
Website The libevent API provides a mechanism to execute a callback function when a specific event occurs on a file descriptor or after a timeout has been reached.
lib libfabric 1.11.2
Website Libfabric OFI
lib openjpeg 1.5.0
Website OpenJPEG is an open-source JPEG 2000 codec written in C language.
library hwloc 2.3.0
2.9.3
Website Portable Hardware Locality (hwloc)
library readline 6.2.p5
Website The GNU Readline library provides a set of functions for use by applications that allow users to edit command lines as they are typed in.
media ffmpeg 4.4
Website A complete, cross-platform solution to record, convert and stream audio and video.
package manager miniconda3 4.9.2
Website Miniconda is a small, bootstrap version of Anaconda.
package manager miniforge missing
Website Miniforge is a conda installer based off conda-forge
pipeline nextflow 20.10.0
22.04.0
23.04.1
24.04.4
Website Software pipeline for automating omics-scale protein modeling and simulation setup. http://ensembler.readthedocs.org/
profiling monitor 2.1.3
Website A simple cross-platform system resource monitor.
profiling remora 1.8.5-impi
1.8.5
Website REsource MOnitoring for Remote Applications
remote display virtualgl 2.6.5
3.0
Website VirtualGL is an open source toolkit that gives any Unix or Linux remote display software the ability to run OpenGL applications with full 3D hardware acceleration.
scm git 2.30.0
Website Fast Version Control System
terminal tmux 3.1c
Website tmux is a terminal multiplexer; it enables a number of terminals to be created, accessed, and controlled from a single screen.
terminal ttyd 1.6.3
Website ttyd is a simple command-line tool for sharing terminal over the web.
tools imagemagick 7.0.10
7.1.1
Website Use ImageMagick to create, edit, compose, or convert digital images.
tools lmod 8.7.8
Website An environment module system
tools parallel 20210122
Website GNU parallel is a shell tool for executing jobs in parallel using one or more computers.
tools povray 3.7.0.0
Website The Persistence of Vision Raytracer is a high-quality, Free Software tool for creating stunning three-dimensional graphics.
utilities pandoc 2.11.4
Website Pandoc is a universal document converter.

viz#

Field Module Name Version(s) URL Description
graphics blender 2.79b
3.0.1
Website Blender is the free and open source 3D creation suite.
graphics ilastik 1.3.3
1.4.0rc6
Website the interactive learning and segmentation toolkit
graphics qupath 0.3.2
0.5.0
0.5.1
Website QuPath is open source software for bioimage analysis.
graphs graphviz 2.40.1
Website Graph visualization is a way of representing structural information as diagrams of abstract graphs and networks.
graphs mcl 14.137
Website The MCL algorithm is short for the Markov Cluster Algorithm, a fast and scalable unsupervised cluster algorithm for graphs (also known as networks) based on simulation of (stochastic) flow in graphs.
graphs orca 1.3.1
Website Command line application for generating static images of interactive plotly charts
imaging kaleido 0.2.1
Website Kaleido is a cross-platform library for generating static images (e.g. png, svg, pdf, etc.) for web-based visualization libraries, with a particular focus on eliminating external dependencies.
imaging netpbm 10.73.30
Website A whole bunch of utilities for primitive manipulation of graphic images.
molecular visualization alevinfry 0.8.1
Website alevin-fry is a suite of tools for the rapid, accurate and memory-frugal processing single-cell and single-nucleus sequencing data.
molecular visualization annotsv 3.3.5
Website AnnotSV is a standalone program designed for annotating and ranking Structural Variations.
molecular visualization pymol 2.5.0
Website PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger.