OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.

C-library for calculating Solvent Accessible Surface Areas

Installable VMD as a python module

Software for biomolecular electrostatics and solvation calculations

A python script to prepare GROMACS input files using INTERFACE forcefield

Discontinuous Molecular Dynamics (DMD) Simulation Package

Combines FRESEAN mode analysis of a protein (based on a CG representation) with enhanced sampling using metadynamics

Entropy from PDB conformational ensembles

Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.

Gaussian Accelerated Molecular Dynamics Implementation in Gromacs

Molfileplugin for VMD that lets me read in GROMACS tpr files

implementation of Magnetic field in NAMD 2.12

WHAM free energy calculation package

Local membrane property analysis

Paralle Acceleration for AMBER on Tianhe-2

A python script to prepare GROMACS input files using INTERFACE forcefield