Modules avx512: Difference between revisions

| align="center" | [https://dalexander.github.io/admixture/ admixture]

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: ADMIXTURE is a software tool for maximum likelihood estimation of individual ancestries from multilocus SNP genotype datasets. It uses the same statistical model as STRUCTURE but calculates estimates much more rapidly using a fast numerical optimization algorithm. Homepage: https://dalexander.github.io/admixture/ URL: https://dalexander.github.io/admixture/ Keyword:bio<br /><br /><br /></div>

| align="center" | [https://ambermd.org/amber.html amber]

| align="center" | 20.9-20.15, 22.5-23.5, 18.14-18.17, 20.12-20.15

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction. Homepage: https://ambermd.org/amber.html URL: https://ambermd.org/amber.html Keyword:chem<br /><br /><br /></div>

| align="center" | 2024R1.03, 2019R3, 2020R2, 2021R1, 2021R2, 2022R1, 2022R2, 2023R1, 2023R2

| align="center" | 0.16.0, 0.17.1, 2.0.0, 5.0.0, 8.0.0, 9.0.0, 10.0.1, 11.0.0, 12.0.1, 13.0.0, 14.0.0, 14.0.1, 15.0.1, 16.1.0, 17.0.0

| align="center" | 5.4, 5.4-240301

| align="center" | 5.6, 6.0.0.405, 6.1.0.357, 6.2, 6.2.0.415

| align="center" | 2.1, 2.3.1, 2.4.1

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: GLFW is an Open Source, multi-platform library for OpenGL, OpenGL ES and Vulkan development on the desktop Homepage: https://www.glfw.org URL: https://www.glfw.org Compatible modules: python/3.10, python/3.10, python/3.10, python/3.10, python/3.11, python/3.11, python/3.11, python/3.11 Extensions: glfw-2.6.2<br /><br /><br /></div>

| align="center" | 2020-11-14, 2019-09-12

| Documentation: [[GROMACS]]<div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: GROMACS is a versatile package to perform molecular dynamics. This version has been patched with 'Colvars', a collective variables module for molecular simulation programs. This is a GPU enabled build, containing both MPI and threadMPI builds. - CC-Wiki: GROMACS Homepage: http://colvars.github.io/ URL: http://colvars.github.io/ Keyword:chem<br /><br /><br /></div>

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: GROMACS is a versatile package to perform molecular dynamics. This version has been modified to support RAMD, which is used to identify ligand exit routes from the buried binding pockets of receptors and investigate the mechanism of ligand dissociation. https://kbbox.h-its.org/toolbox/methods/molecular-simulation/random-acceleration-molecular-dynamics-ramd/ This is a CPU only build, containing both MPI and threadMPI builds. Homepage: https://github.com/HITS-MCM/gromacs-ramd URL: https://github.com/HITS-MCM/gromacs-ramd Keyword:chem<br /><br /><br /></div>

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and efficient I/O and for high volume and complex data. Homepage: https://portal.hdfgroup.org/display/support URL: https://portal.hdfgroup.org/display/support Compatible modules: python/3.10, python/3.11 Extensions: blosc2-2.2.9, cached-property-1.5.2, h5py-3.10.0, ndindex-1.7, numexpr-2.8.7, py-cpuinfo-9.0.0, tables-3.9.1 Keyword:io<br /><br /><br /></div>

| align="center" | 5.55-88.0, 5.63-95.0, 5.64-96.0, 5.53-87.0, 5.56-89.0, 5.50-84.0, 5.52-86.0

| align="center" | 2020a, 2020b, 2021a, 2022a, 2023a, 2023b, 2024a

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Bundle which contains ipykernel 2024a and its dependencies Homepage: https://ipython.org/ URL: https://ipython.org/ Compatible modules: python/3.10, python/3.11, python/3.12 Extensions: asttokens-2.4.1, comm-0.2.2, debugpy-1.8.1, decorator-5.1.1, executing-2.0.1, ipykernel-6.29.4, ipython-8.25.0, jedi-0.19.1, jupyter_client-8.6.2, jupyter_core-5.7.2, matplotlib_inline-0.1.7, nest_asyncio-1.6.0, packaging-24.1, parso-0.8.4, pexpect-4.9.0, platformdirs-3.9.1, prompt_toolkit-3.0.47, psutil-5.9.8, ptyprocess-0.7.0, pure_eval-0.2.2, pygments-2.18.0, python_dateutil-2.9.0.post0, pyzmq-26.0.3, six-1.16.0, stack_data-0.6.3, tornado-6.3.3, traitlets-5.14.3, wcwidth-0.2.13<br /><br /><br /></div>

| align="center" | 4.13.3, 5.0.1, 5.1.2, 5.2.1, 5.3.0

| align="center" | 1.8.0_192, 1.8.0_292, 11.0.16_8, 11.0.22, 13.0.2, 14.0.2, 17.0.2, 17.0.6, 21.0.1

| align="center" | [https://www.mathworks.com/products/compiler/mcr/ mcr]

| align="center" | R2021b, R2020b, R2022b, R2024a

| Documentation: [[MATLAB]]<div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The MATLAB Runtime is a standalone set of shared libraries that enables the execution of compiled MATLAB applications or components on computers that do not have MATLAB installed. Homepage: https://www.mathworks.com/products/compiler/mcr/ URL: https://www.mathworks.com/products/compiler/mcr/ Keyword:tools<br /><br /><br /></div>

| align="center" | [https://docs.alliancecan.ca/wiki/META-Farm meta-farm]

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Meta-farm is a suite of scripts designed in-house to fully automate throughput computing (running a large number of related serial/parallel/GPU jobs - so called farming). Homepage: https://docs.alliancecan.ca/wiki/META-Farm URL: https://docs.alliancecan.ca/wiki/META-Farm<br /><br /><br /></div>

| align="center" | 15-6f452, 14-7e284, 13-45111

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: OpenMM is a toolkit for molecular simulation. Homepage: http://openmm.org URL: http://openmm.org Compatible modules: python/3.10, python/3.11 Extensions: pdbfixer-1.8.1 Keyword:chem<br /><br /><br /></div>

| align="center" | 5.2, 5.2.2

| align="center" | [https://www.cog-genomics.org/plink/1.9/ plink]

| align="center" | 2.00-20231024-avx2, 2.00-10252019-avx2, 2.00a5.8, 2.00a3.6, 1.9b_6.21-x86_64

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: plink-1.9-x86_64: Whole-genome association analysis toolset Homepage: https://www.cog-genomics.org/plink/1.9/ URL: https://www.cog-genomics.org/plink/1.9/ Keyword:bio<br /><br /><br /></div>

| align="center" | [https://qwt.sourceforge.io/ qwt]

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The Qwt library contains GUI Components and utility classes which are primarily useful for programs with a technical background. Homepage: https://qwt.sourceforge.io/ URL: https://qwt.sourceforge.io/ Keyword:tools<br /><br /><br /></div>

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: NVIDIA TensorRT is a platform for high-performance deep learning inference Homepage: https://developer.nvidia.com/tensorrt URL: https://developer.nvidia.com/tensorrt Compatible modules: python/3.8, python/3.9, python/3.10, python/3.11<br /><br /><br /></div>

| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The Apache Thrift software framework, for scalable cross-language services development, combines a software stack with a code generation engine to build services that work efficiently and seamlessly between C++, Java, Python, PHP, Ruby, Erlang, Perl, Haskell, C#, Cocoa, JavaScript, Node.js, Smalltalk, OCaml and Delphi and other languages. Homepage: https://thrift.apache.org/ URL: https://thrift.apache.org/ Compatible modules: python/3.10, python/3.11, python/3.12<br /><br /><br /></div>