Lagnajit Pattanaik

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 8

Top Topics

Chemical Reaction

Singly Connected

Inductive Inference

Top Venues

Mach. Learn. Sci. Technol.

Publications

Kevin A. Spiekermann, Thijs Stuyver, Lagnajit Pattanaik, William H. Green Jr.
Comment on 'Physics-based representations for machine learning properties of chemical reactions'. Mach. Learn. Sci. Technol. 4 (4) (2023)
Hannes Stärk, Octavian-Eugen Ganea, Lagnajit Pattanaik, Regina Barzilay, Tommi Jaakkola
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction. CoRR (2022)
Hannes Stärk, Octavian Ganea, Lagnajit Pattanaik, Regina Barzilay, Tommi Jaakkola
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction. ICML (2022)
Keir Adams, Lagnajit Pattanaik, Connor W. Coley
Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations. ICLR (2022)
Octavian-Eugen 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. CoRR (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)
Keir Adams, Lagnajit Pattanaik, Connor W. Coley
Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations. CoRR (2021)
Lagnajit Pattanaik, Octavian-Eugen Ganea, Ian Coley, Klavs F. Jensen, William H. Green Jr., Connor W. Coley
Message Passing Networks for Molecules with Tetrahedral Chirality. CoRR (2020)