Pattanaik, Lagnajit

4 publications

ICML 2022 EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction Hannes Stärk, Octavian Ganea, Lagnajit Pattanaik, Dr.Regina Barzilay, Tommi Jaakkola

ICLRW 2022 EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction Hannes Stärk, Octavian-Eugen Ganea, Lagnajit Pattanaik, Regina Barzilay, Tommi S. Jaakkola

ICLR 2022 Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations Keir Adams, Lagnajit Pattanaik, Connor W. Coley

NeurIPS 2021 GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles Octavian Ganea, Lagnajit Pattanaik, Connor Coley, Regina Barzilay, Klavs Jensen, William Green, Tommi Jaakkola