PyRank

Openmm Python Packages

Python packages with the GitHub topic openmm. Sorted by relevance, with stars and monthly downloads.
RedesignScience
cvpack

Useful Collective Variables for OpenMM

632 18 2
openforcefield
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

595 392 103
mohebifar
openmm-transformer

Cleaner way to manage custom forces in openmm

393 5 0
Marcello-Sega
pytim

Python Tool for Interfacial Molecules Analysis

369 95 38
openforcefield
acellera-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

306 392 103
giorginolab
miniomm

A simple OpenMM wrapper for common-case MD runs

231 5 3
sunghunbae
mdscribe

A toolset for molecular dynamics

221 1 0
cabb99
open3spn2

No description available

201 19 9
shirtsgroup
cg-openmm

Package containing tools to perform coarse-grained modeling in OpenMM.

189 24 8
bbye98
mdhelper

A batteries-included toolkit of analysis modules and helper functions

147 8 0
insilichem
ommprotocol

A command line application to launch molecular dynamics simulations with OpenMM

143 40 8
openforcefield
neoralab-openff-toolkit

OpenFF toolkit distribution maintained by Neoralab

127 392 103