Structure prediction of protein-ligand complexes from sequence information with Umol , journal=

Bryant, Patrick, Kelkar, Atharva, Guljas, Andrea, Clementi, Cecilia, No · 2024 · Nature Communications · DOI 10.1038/s41467-024-48837-6

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GEqTrain: A Configuration-Driven Framework for Retargeting Equivariant Graph Neural Networks Across 3D Scientific Tasks cs.LG · 2026-07-21 · unreviewed · ref 51