Pattanaik, Lagnajit

1. GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles
   2021/06/08 by Octavian-Eugen Ganea, Ganea, Octavian-Eugen, Lagnajit Pattanaik +11 · 12 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics
2. Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations
   2021/10/08 by Keir Adams, Adams, Keir, Lagnajit Pattanaik +3 · 4 citations
   Chemistry · Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Molecular spectroscopy and chirality
3. Message Passing Networks for Molecules with Tetrahedral Chirality
   2020/11/24 by Lagnajit Pattanaik, Octavian-Eugen Ganea, Pattanaik, Lagnajit +9 · 2 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Chemical Synthesis and Analysis #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Quantitative Methods (q-bio.QM)