ARC Software

General

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

Software Management

• Conda and Miniconda

General Tools

• Python
• Perl

Libraries

File Format Libraries

• HDF5

Atmospheric research

• CESM

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.

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

• GDAL

• Geopandas

Machine Learning

• Tensorflow

• PyTorch

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

• Relion

• Cellprofiler

Neuroimaging

• Freesurfer

• FSL

• fmriprep

• SPM 12

Statistics

• R

• rstan