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Fundamental and Applied Chemical Kinetics
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Biblio Author:
Octavian-Eugen Ganea
2021
Octavian-Eugen Ganea
Lagnajit Pattanaik
Connor W. Coley
Regina Barzilay
Klavs F. Jensen
William H. Green
Tommi S. Jaakkola
2021
GEOMOL: Torsional Geometric Generation of Molecular 3D Conformer Ensembles
Advances in Neural Information Processing Systems
34
2020
Lagnajit Pattanaik
Octavian-Eugen Ganea
Ian Coley
Klavs F. Jensen
William H. Green
Connor W. Coley
2020
Message Passing Networks for Molecules with Tetrahedral Chirality
