Vishnu Sresht

11 papers A* 2A 1Journal 8
YearRankTypeTitle / Venue / Authors
2025 J jnl
Beyond Atoms: Evaluating Electron Density Representation for 3D Molecular Learning.
CoRR
Patricia Suriana, Joshua A. Rackers, Ewa M. Nowara, Pedro O. Pinheiro, John M. Nicoloudis, Vishnu Sresht
2025 J jnl
Pharmacophore-based design by learning on voxel grids.
CoRR
Omar Mahmood, Pedro O. Pinheiro, Richard Bonneau, Saeed Saremi, Vishnu Sresht
2025 J jnl
Similarity-Quantized Relative Difference Learning for Improved Molecular Activity Prediction.
CoRR
Karina Zadorozhny, Kangway V. Chuang, Bharath Sathappan, Ewan R. S. Wallace, Vishnu Sresht, Colin A. Grambow
2024 A* conf
Structure-based drug design by denoising voxel grids.
ICML
Pedro O. Pinheiro, Arian Rokkum Jamasb, Omar Mahmood, Vishnu Sresht, Saeed Saremi
2024 J jnl
Structure-based drug design by denoising voxel grids.
CoRR
Pedro O. Pinheiro, Arian Jamasb, Omar Mahmood, Vishnu Sresht, Saeed Saremi
2023 A* conf
3D molecule generation by denoising voxel grids.
NeurIPS
Pedro O. Pinheiro, Joshua A. Rackers, Joseph Kleinhenz, Michael Maser, Omar Mahmood, Andrew M. Watkins, Stephen Ra, Vishnu Sresht, Saeed Saremi
2023 J jnl
3D molecule generation by denoising voxel grids.
CoRR
Pedro O. Pinheiro, Joshua A. Rackers, Joseph Kleinhenz, Michael Maser, Omar Mahmood, Andrew Martin Watkins, Stephen Ra, Vishnu Sresht, Saeed Saremi
2022 J jnl
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics.
J. Chem. Inf. Model.
Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Ray Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken
2022 A conf
Uncertainty-aware pseudo-labeling for quantum calculations.
UAI
Kexin Huang, Vishnu Sresht, Brajesh K. Rai, Mykola Bordyuh
2019 J jnl
Black Box Recursive Translations for Molecular Optimization.
CoRR
Farhan N. Damani, Vishnu Sresht, Stephen Ra
2019 J jnl
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.
J. Chem. Inf. Model.
Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Raymond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken