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Frontiers in Medicine
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October 10, 2022
MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimization
Sarvesh Mehta, Manan Goel, U Deva Priyakumar
Journal of Chemical Information and Modeling
|
February 6, 2021
Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural Networks
Yashaswi Pathak, Sarvesh Mehta, U Deva Priyakumar
The Journal of Physical Chemistry Letters
|
May 31, 2022
Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure
Bhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak, et al.
The Journal of Physical Chemistry. B
|
November 28, 2023
MolOpt: Autonomous Molecular Geometry Optimization Using Multiagent Reinforcement Learning
Rohit Modee, Sarvesh Mehta, Siddhartha Laghuvarapu, et al.
Chemical Science
|
October 18, 2021
MEMES: Machine learning framework for Enhanced MolEcular Screening
Sarvesh Mehta, Siddhartha Laghuvarapu, Yashaswi Pathak, et al.
Scientific Data
|
September 7, 2022
PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
Divya B Korlepara, C S Vasavi, Shruti Jeurkar, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Frontiers in Medicine
|
October 10, 2022
MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimization
Sarvesh Mehta, Manan Goel, U Deva Priyakumar
Journal of Chemical Information and Modeling
|
February 6, 2021
Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural Networks
Yashaswi Pathak, Sarvesh Mehta, U Deva Priyakumar
The Journal of Physical Chemistry Letters
|
May 31, 2022
Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure
Bhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak, et al.
The Journal of Physical Chemistry. B
|
November 28, 2023
MolOpt: Autonomous Molecular Geometry Optimization Using Multiagent Reinforcement Learning
Rohit Modee, Sarvesh Mehta, Siddhartha Laghuvarapu, et al.
Chemical Science
|
October 18, 2021
MEMES: Machine learning framework for Enhanced MolEcular Screening
Sarvesh Mehta, Siddhartha Laghuvarapu, Yashaswi Pathak, et al.
Scientific Data
|
September 7, 2022
PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
Divya B Korlepara, C S Vasavi, Shruti Jeurkar, et al.
Page
of 1