2023 OpenFF Annual Meeting -  John Chodera
Channel: Open Force Field Initiative
Date: 2023-06-14

Espaloma and the opportunities afforded by moving to a machine learning framework for SMIRNOFF and Graph Net optimization

John D. Chodera
MSKCC Computational and Systems Biology Program http://choderalab.org

This is a presentation from the second day of the 2023 OMSF Symposium in Boston, which ran as a hybrid in-person/virtual event.

If you want to use any materials used in this talk in your work, please cite the Zenodo entry containing video and slides: https://doi.org/10.5281/zenodo.8044686