3 results found Sort:

Colvars
colvars Colvars
57
211
lgpl-3.0
19
Collective variables library for molecular simulation and analysis programs
vmd namd lammps gromacs tinkerhp simulation free-energy enhanced-sampling molecular-dynamics collective-variables
Created 2013-05-23
4,293 commits to master 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
bio-phys
MDBenchmark bio-phys
17
76
other
5
Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
cli namd python gromacs benchmark simulation molecular-dynamics computational-chemistry high-performance-computing
Created 2017-11-29
600 commits to develop branch, last one 2 months ago