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jewettaij
moltemplate

A general cross-platform text-based molecule builder for LAMMPS

6K 312 106
HECBioSim
longbow

Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.

2K 18 5
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

291 392 103
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

241 392 103
insilichem
ommprotocol

Easy to deploy MD protocols for OpenMM

161 40 8
openforcefield
neoralab-openff-toolkit

OpenFF toolkit distribution maintained by Neoralab

132 392 103