ACCESS Resource Provider Software Discovery

FastQC v 0.11.9

Module: FastQC/ 0.11.9

FastQC aims to provide a simple way to do some quality control checks on raw sequence data coming from high throughput sequencing pipelines.

Domain: Biological Sciences

Keywords: singularity bioinformatics

irods-icommands v 4.3.0

Module: irods-icommands/ 4.3.0

iCommands, the default command line interface to iRODS.

Domain: Biological Sciences

Keywords: singularity bioinformatics

orca v4.1.2

Module: orca/4.1.2

ORCA v 4.1.2 Ab initio Molecular Dynamics There is an example job script in /opt/packages/examples/orca version orca_4_1_2_linux_x86-64_shared_openmpi313

Domain: Molecular Dynamics

bamtools v 2.5.1

Module: bamtools/ 2.5.1

BamTools is a project that provides both a C++ API and a command-line toolkit for reading, writing, and manipulating BAM (genome alignment) files.

Domain: Biological Sciences

Keywords: singularity bioinformatics

gurobi v11.0.0

Module: gurobi/11.0.0

The fastest and most powerful mathematical programming solver available for LP, QP and MIP (MILP, MIQP, and MIQCP) problems.

Domain: libraries

gromacs v2020.4-gpu

Module: gromacs/2020.4-gpu

GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics package primarily designed for simulations of proteins, lipids and nucleic acids.

Domain: Computational Chemistry

Keywords:

gromacs v2018

Module: gromacs/2018

Gromacs 2018 for CPUs (RM version), compiled without CUDA support GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics package primarily designed for simulations of proteins, lipids and nucleic acids.

Domain: Computational Chemistry

Keywords:

bowtie2 v 2.4.2

Module: bowtie2/ 2.4.2

bowtie2 is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences

Domain: Biological Sciences

Keywords: singularity bioinformatics

SPAdes v 3.14.1

Module: SPAdes/ 3.14.1

SPAdes – St. Petersburg genome assembler – is an assembly toolkit containing various assembly pipelines.

Domain: Biological Sciences

Keywords: singularity bioinformatics

guppy v 6.0.0

Module: guppy/ 6.0.0

Guppy is a data processing toolkit that contains the Oxford Nanopore Technologies’ basecalling algorithms.

Domain: Biological Sciences

Keywords: singularity bioinformatics

rich-cli v 1.8.0

Module: rich-cli/ 1.8.0

rich-cli is a command line toolbox for fancy output in the terminal.

Domain: Utilities

Keywords: singularity utilities

intel-mkl v2020.4.304

Module: intel-mkl/2020.4.304

Intel Math Kernel Library.

Domain: libraries

Keywords: MKL Math Kernel Library

v

Module: /

Domain: Artificial Intelligence

Keywords: singularity artificial intelligence machine learning tensorflow

nvhpc v22.9

Module: nvhpc/22.9

Purpose ------- PGI Compilers pgcc, pgc++, pgf90, pgf95, and pgfortran also called nvc, nvc++ and nvfortran

Domain: Compiler

intel-tbb32 v2021.10.0

Module: intel-tbb32/2021.10.0

guppy-gpu v 6.0.1

Module: guppy-gpu/ 6.0.1

Guppy is a data processing toolkit that contains the Oxford Nanopore Technologies’ basecalling algorithms.

Domain: Biological Sciences

Keywords: singularity bioinformatics

htslib v 1.13

Module: htslib/ 1.13

HTSlib A C library for reading/writing high-throughput sequencing data.

Domain: Biological Sciences

Keywords: singularity bioinformatics

fastANI v 1.33

Module: fastANI/ 1.33

FastANI is developed for fast alignment-free computation of whole-genome Average Nucleotide Identity (ANI).

Domain: Biological Sciences

ansys v212

Module: ansys/212

The ansys installation includes ANSYS multiphysics components. Paths to ANSYS mechanical, Fluent, CFX and AutoDyn packages are added to the user path setting. The software is distributed by ANSYS, Inc: http://ansys.com

Domain: Engineering

ansys v252

Module: ansys/252

The ansys installation includes ANSYS multiphysics components. Paths to ANSYS mechanical, Fluent, CFX and AutoDyn packages are added to the user path setting. The software is distributed by ANSYS, Inc: http://ansys.com

Domain: Engineering

ansys v251

Module: ansys/251

The ansys installation includes ANSYS multiphysics components. Paths to ANSYS mechanical, Fluent, CFX and AutoDyn packages are added to the user path setting. The software is distributed by ANSYS, Inc: http://ansys.com

Domain: Engineering

intel-oneapi v2023.2.1

Module: intel-oneapi/2023.2.1

infernal v 1.1.3

Module: infernal/ 1.1.3

Infernal (INFERence of RNA ALignment) is for searching DNA sequence databases for RNA structure and sequence similarities.

Domain: Biological Sciences

Keywords: singularity bioinformatics

samtools v 1.21

Module: samtools/ 1.21

samtools is a suite of programs for interacting with high-throughput sequencing data.

Domain: Biological Sciences

Keywords: singularity bioinformatics

CP2K v 7.1

Module: CP2K/ 7.1

CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.

Domain: Quantum Chemistry Materials Sciences

Keywords: molecular dynamics ab initio