3 results found Sort:

Colvars
colvars Colvars
58
218
lgpl-3.0
18
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
4,365 commits to master branch, last one 3 days ago
Marcello-Sega
pytim Marcello-Sega
35
84
gpl-3.0
7
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
559 commits to master branch, last one 15 days ago
bio-phys
MDBenchmark bio-phys
17
78
other
4
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 6 months ago