openmm topic

A project (and object) for storing, manipulating, and converting molecular mechanics data.

openforcefield

Simulation-Enabled Estimation of Kinetic Rates - Version 2

seekrcentral

Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM

choderalab

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

essex-lab

Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS...

leelasd

A command line application to launch molecular dynamics simulations with OpenMM

insilichem

Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another notebook to finish the simulaiton on Colab was attached as well.

quantaosun

Unified Free Energy Dynamics (UFED) simulations with OpenMM

craabreu

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

cabb99

OpenMM testbed for constant-pH methodologies.

choderalab