Open Force Field Initiative
An open source, open science, and open data approach to better force fields
Pinned
Repositories
Showing 10 of 68 repositories
-
- 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
-
- openff-interchange Public
A project (and object) for storing, manipulating, and converting molecular mechanics data.
-
-
- alchemiscale Public
a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
-
-