Skip to content

openforcefield/ash-sage-rc2

Repository files navigation

ash-sage-rc2

This is a working directory for the in-progress Sage 2.3.0rc2 fit.

Sage 2.3.0 will be the first OpenFF force field with a neural network charge model. The scripts here carry out both a vdW and a valence fit to the charge model.

About

No description, website, or topics provided.

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published