Open Force Field Initiative
An open source, open science, and open data approach to better force fields
Pinned Loading
Repositories
Showing 10 of 69 repositories
- openff-interchange Public
A project (and object) for storing, manipulating, and converting molecular mechanics data.
openforcefield/openff-interchange’s past year of commit activity - alchemiscale Public
a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
openforcefield/alchemiscale’s past year of commit activity - openff-toolkit Public
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
openforcefield/openff-toolkit’s past year of commit activity - openff-recharge Public
An automated framework for generating optimized partial charges for molecules
openforcefield/openff-recharge’s past year of commit activity - smirnoff-plugins Public
Plugins to enable using custom functional forms in SMIRNOFF based force fields
openforcefield/smirnoff-plugins’s past year of commit activity
Top languages
Loading…