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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?

arxiv.org/abs/2301.08734

🐦🔗: twitter.com/simonbatzner/statu

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