3 results found Sort:

Acellera
htmd Acellera
59
260
other
19
HTMD: Programming Environment for Molecular Discovery
htmd automate drug-discovery molecular-simulations
Created 2015-09-26
4,852 commits to master branch, last one 7 hours ago
choderalab
openmmtools choderalab
81
251
mit
37
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
mcmc openmm python integrators replica-exchange molecular-dynamics molecular-simulations free-energy-calculations markov-chain-monte-carlo alchemical-free-energy-calculations
Created 2014-10-19
1,738 commits to main branch, last one 2 days ago
Marcello-Sega
pytim Marcello-Sega
34
79
gpl-3.0
8
a python package for the interfacial analysis of molecular simulations
namd sasa charmm lammps mdtraj openmm python gromacs interfaces mdanalysis simulations data-analysis willard-chandler interfacial-atoms molecular-dynamics scientific-computing molecular-simulations
Created 2017-02-23
555 commits to master branch, last one 2 months ago