RT @simonbatzner@twitter.com
Impressive ML potential by @jppiquem@twitter.com + team building on Allegro. Trained on DES370K, ANI-1ccx, and water, it strongly outperforms ANI.
Remarkable how well it does dissocations + bulk water despite never having seen condensed phase?
http://arxiv.org/abs/2301.08734
🐦🔗: https://twitter.com/simonbatzner/status/1617531750753931267