"GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles."

Octavian Ganea et al. (2021)

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DOI: —

access: open

type: Conference or Workshop Paper

metadata version: 2022-05-03

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Octavian Ganea, Lagnajit Pattanaik, Connor W. Coley, Regina Barzilay, Klavs F. Jensen, William H. Green Jr., Tommi S. Jaakkola:
GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles. NeurIPS 2021: 13757-13769

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