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Journal Articles
- 2022
[j2]Brajesh K. Rai
, Vishnu Sresht, Qingyi Yang, Ray Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken:
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics. J. Chem. Inf. Model. 62(4): 785-800 (2022)- 2019
- [j1]Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Raymond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken:
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations. J. Chem. Inf. Model. 59(10): 4195-4208 (2019)
Conference and Workshop Papers
- 2024
- [c3]Pedro O. Pinheiro, Arian Rokkum Jamasb, Omar Mahmood, Vishnu Sresht, Saeed Saremi:
Structure-based drug design by denoising voxel grids. ICML 2024 - 2023
- [c2]Pedro O. Pinheiro, Joshua Rackers, Joseph Kleinhenz, Michael Maser, Omar Mahmood, Andrew M. Watkins, Stephen Ra, Vishnu Sresht, Saeed Saremi:
3D molecule generation by denoising voxel grids. NeurIPS 2023 - 2022
- [c1]Kexin Huang, Vishnu Sresht, Brajesh K. Rai, Mykola Bordyuh:
Uncertainty-aware pseudo-labeling for quantum calculations. UAI 2022: 853-862
Informal and Other Publications
- 2024
- [i3]Pedro O. Pinheiro, Arian Jamasb, Omar Mahmood, Vishnu Sresht, Saeed Saremi:
Structure-based drug design by denoising voxel grids. CoRR abs/2405.03961 (2024) - 2023
- [i2]Pedro O. Pinheiro, Joshua Rackers, Joseph Kleinhenz, Michael Maser, Omar Mahmood, Andrew Martin Watkins, Stephen Ra, Vishnu Sresht, Saeed Saremi:
3D molecule generation by denoising voxel grids. CoRR abs/2306.07473 (2023) - 2019
- [i1]Farhan N. Damani, Vishnu Sresht, Stephen Ra:
Black Box Recursive Translations for Molecular Optimization. CoRR abs/1912.10156 (2019)
Coauthor Index
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