OXtal: An All-Atom Diffusion Model for Organic Crystal Structure Prediction

2025

Emily Jin, Andrei Cristian Nica, Mikhail Galkin, Jarrid Rector-Brooks, Kin Long Kelvin Lee, Santiago Miret, Frances H. Arnold, Michael Bronstein, Avishek Joey Bose, Alexander Tong, Cheng-Hao Liu

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