Open Force Field Initiative

Chemical perception tree automated exploration tool.

openforcefield

A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format

openforcefield

a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home

openforcefield

Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week

openforcefield

For discussing and aggregating data for force field development

openforcefield

An automated framework for generating optimized partial charges for molecules

openforcefield

Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.

openforcefield

openforcefield