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Lagnajit Pattanaik

EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction

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Feb 07, 2022
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Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations

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Oct 08, 2021
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GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles

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Jun 08, 2021
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Message Passing Networks for Molecules with Tetrahedral Chirality

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Dec 04, 2020
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