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"GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles."
Octavian Ganea et al. (2021)
- 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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