PyRank

Openmm Python Packages

Python packages with the GitHub topic openmm. Sorted by relevance, with stars and monthly downloads.
Marcello-Sega
pytim

a python package for the interfacial analysis of molecular simulations

1K 95 38
openforcefield
openff-toolkit

openff-toolkit

1K 396 104
RedesignScience
cvpack

Useful Collective Variables for OpenMM

586 18 2
mohebifar
openmm-transformer

A cleaner way to manage custom forces in OpenMM

441 5 0
openforcefield
acellera-openff-toolkit

openff-toolkit

407 396 104
shirtsgroup
cg-openmm

Tools to build coarse grained models and perform simulations with OpenMM

277 24 8
giorginolab
miniomm

A simple OpenMM wrapper for common-case MD runs

270 5 3
cabb99
open3spn2

An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM

266 19 9
sunghunbae
mdscribe

A toolset for molecular dynamics

261 1 0
insilichem
ommprotocol

A command line application to launch molecular dynamics simulations with OpenMM

216 40 8
bbye98
mdhelper

A batteries-included toolkit of analysis modules and helper functions

186 8 0
openforcefield
neoralab-openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

153 396 104