ARC Software: Difference between revisions

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= Software Management =
For some general consideration for setting up software in your home directory see [[Managing software on ARC]].
For some general consideration for setting up software in your home directory see [[Managing software on ARC]].


= Software Management =
* [[Conda on ARC | Conda]] and Miniconda
* [[Conda on ARC | Conda]] and Miniconda


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* [[CESM]]
* [[CESM]]


= Physics =
= Biomedical research =
* [[ROOT]] - An open-source data analysis framework used by high energy physics and others.
 
* [[Bioconda]] -- lets you install thousands of software packages related to biomedical research using the [[Conda on ARC | Conda]] package manager.
 
* [[SignalP]] -- Prediction of Signal Peptides and their cleavage sites in all domains of life


= Chemistry =
= Chemistry =
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* [[ORCA]] - an ab initio quantum chemistry program package that contains modern electronic structure methods.
* [[ORCA]] - an ab initio quantum chemistry program package that contains modern electronic structure methods.
* [[GROMACS]] - Classical molecular dynamics simulator.
* [[GROMACS]] - Classical molecular dynamics simulator.
* [[Quantum ESPRESSO]] - an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
* [[CPMD]] --


= Computational Fluid Dynamics =
= Computational Fluid Dynamics =
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= Neuroimaging =
= Neuroimaging =
* [[AFNI on ARC | AFNI]]
* [[Freesurfer on ARC | Freesurfer]]
* [[Freesurfer on ARC | Freesurfer]]
* [[FSL on ARC | FSL]]
* [[FSL on ARC | FSL]]
* [[fmriprep on ARC | fmriprep]]
* [[fmriprep on ARC | fmriprep]]
* [[Statistical Parametric Mapping on ARC | SPM 12]]
* [[Statistical Parametric Mapping on ARC | SPM 12]]
= Physics =
* [[ROOT]] - An open-source data analysis framework used by high energy physics and others.


= Statistics =
= Statistics =
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* [[Stan on ARC | rstan]]
* [[Stan on ARC | rstan]]


__NOTOC__
[[Category:ARC]]
[[Category:ARC]]
{{Navbox ARC}}
{{Navbox ARC}}

Revision as of 21:07, 1 October 2024

Software Management

For some general consideration for setting up software in your home directory see Managing software on ARC.

General Tools

File Format Libraries

Atmospheric research

Biomedical research

  • Bioconda -- lets you install thousands of software packages related to biomedical research using the Conda package manager.
  • SignalP -- Prediction of Signal Peptides and their cleavage sites in all domains of life

Chemistry

  • Gaussian 16 - a commercial software package for electronic structure modelling.
  • ORCA - an ab initio quantum chemistry program package that contains modern electronic structure methods.
  • GROMACS - Classical molecular dynamics simulator.
  • Quantum ESPRESSO - an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.

Computational Fluid Dynamics

  • ANSYS - Fluent and CFX - commercial CFD software.
  • OpenFOAM - Open-source toolkit for creating CFD applications.

Finite Element Modelling

  • ANSYS - ANSYS Fluent - commercial software for finite element-based structural analysis.
  • Abaqus - Commercial software for finite element-based analysis.
  • Nektar++ -- a tensor product based finite element package designed to allow one to construct efficient classical low polynomial order h-type solvers (where h is the size of the finite element) as well as higher p-order piecewise polynomial order solvers.

Geospatial Analysis

Machine Learning

Mathematical Libaries and Applications

  • MATLAB - Commercial general-purpose high-level programming environment for linear algebra, statistics, image processing and a wide range of other calculations.
  • Mathematica - Commercial general-purpose high-level programming package for both symbolic and numerical calculations.

Microscopy

Neuroimaging

Physics

  • ROOT - An open-source data analysis framework used by high energy physics and others.

Statistics