ACCESS Resource Provider Software Discovery

anaconda3 v2024.10-1

Module: anaconda3/2024.10-1

Anaconda is a free and open-source distribution of the Python and R programming languages for scientific computing, that aims to simplify package management and deployment. Package versions are managed by the package management system conda.

Domain: Open data science platform

Keywords: python R

bazel v3.7.1

Module: bazel/3.7.1

Bazel is an open-source build and test tool similar to Make, Maven, and Gradle. It uses a human-readable, high-level build language. Bazel supports projects in multiple languages and builds outputs for multiple platforms. Bazel supports large codebases across multiple repositories, and large numbers of users.

Domain: development

Keywords: bazel

anaconda3 v2020.11

Module: anaconda3/2020.11

Anaconda is a free and open-source distribution of the Python and R programming languages for scientific computing, that aims to simplify package management and deployment. Package versions are managed by the package management system conda.

Domain: Open data science platform

Keywords: python R

hashdeep v 4.4

Module: hashdeep/ 4.4

This is hashdeep, a set of cross-platform tools to compute hashes, or message digests, for any number of files while optionally recursively digging through the directory structure.

Domain: Other

KNIME v 5.2.1

Module: KNIME/ 5.2.1

KNIME, the Konstanz Information Miner, is a free and open-source data analytics, reporting and integration platform. KNIME integrates various components for machine learning and data mining through its modular data pipelining Building Blocks of Analytics concept.

Domain: Other

Keywords: singularity utilities

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

hwloc v2.11.2-gcc13.3.1-p20240614

Module: hwloc/2.11.2-gcc13.3.1-p20240614

zoltan v3.83

Module: zoltan/3.83

The Zoltan library is a toolkit of parallel combinatorial algorithms for parallel, unstructured, and/or adaptive scientific applications. Zoltan's largest component is a suite of dynamic load-balancing and partitioning algorithms that increase applications' parallel performance by reducing idle time. Zoltan also has graph coloring and graph ordering algorithms, which are useful in task schedulers and parallel preconditioners.

Domain: Data management services for unstructured adaptive and dynamic applications

plumed v2.6.2

Module: plumed/2.6.2

PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.

Domain: Computational Chemistry

matlab vR2021a

Module: matlab/R2021a

Domain: libraries

Keywords: Matlab

cuda v10.2.89

Module: cuda/10.2.89

CUDA is a parallel computing platform and programming model invented by NVIDIA. It enables dramatic increases in computing performance by harnessing the power of the graphics processing unit (GPU).

Domain: Libraries/GPU

canu v 1.5

Module: canu/ 1.5

A single molecule sequence assembler for genomes large and small.

Domain: Utilities

Keywords: singularity bioinformatics

LAMMPS v 14Dec21

Module: LAMMPS/ 14Dec21

Classical molecular dynamics.

Domain: Materials Sciences

Keywords: molecular dynamics

Anvi'o v 7

Module: Anvi'o/ 7

Anvi'o is an open-source, community-driven analysis and visualization platform for microbial 'omics.

Domain: Biological Sciences

Keywords: singularity bioinformatics

fftw v3.3.8

Module: fftw/3.3.8

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data (as well as of even/odd data, i.e. the discrete cosine/sine transforms or DCT/DST). We believe that FFTW, which is free software, should become the FFT library of choice for most applications.

Domain: libraries

Keywords: FFTW MPI

comsol v6.3

Module: comsol/6.3

The comsol/6.3 modulefile defines the default system paths and environment variables needed to use the contents of the comsol/6.3 package.

Domain: Finite elements

ucx v1.11.2

Module: ucx/1.11.2

a communication library implementing high-performance messaging for MPI/PGAS frameworks

Domain: Libraries

QuantumEspresso v 7.5

Module: QuantumEspresso/ 7.5

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft).

Domain: Materials Sciences

Keywords: DFT ab initio pseudopotential

Aspera Connect v 3.11.0.5

Module: Aspera Connect/ 3.11.0.5

IBM Aspera® Connect helps you securely move file and folders of any size.

Domain: Other

mc v 4.8.32

Module: mc/ 4.8.32

Midnight Commander (also known as mc) is a free cross-platform orthodox file manager and a clone of Norton Commander.

Domain: Other

intel v2021.10.0

Module: intel/2021.10.0

dorado v 0.6.0

Module: dorado/ 0.6.0

Oxford Nanopore's Basecaller.

Domain: Biological Sciences

Keywords: singularity bioinformatics

python v3.8.6

Module: python/3.8.6

The Python programming language.

Domain: programming language

Keywords: python python3

intelmpi v2021.10.0

Module: intelmpi/2021.10.0

MuST v 1.5

Module: MuST/ 1.5

MuST is software package designed for performing ab initio electornic structure calculations for metals, alloys, and nanostructures. It is an all-electron DFT code based on multiple scattering theory, also known as KKR method, and Green function techniques.

Domain: Materials Sciences

Keywords: DFT ab initio multiple scattering theory Green function KKR KKR-CPA LSMS