2023 OpenFF Annual Meeting - Espaloma and the opportunities afforded by moving to a machine learning framework for SMIRNOFF and Graph Net optimization

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. https://youtu.be/yUw2YsrI860Research supported by NIH R01 GM13238