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