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Journal of Computational Chemistry
|
December 6, 2021
Benchmark study on deep neural network potentials for small organic molecules
Rohit Modee, Siddhartha Laghuvarapu, U Deva Priyakumar
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.
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2021
DART: deep learning enabled topological interaction model for energy prediction of metal clusters and its application in identifying unique low energy isomers
Rohit Modee, Sheena Agarwal, Ashwini Verma, et al.
Journal of Computational Chemistry
|
May 3, 2024
Deep reinforcement learning in chemistry: A review
Bhuvanesh Sridharan, Animesh Sinha, Jai Bardhan, 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
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
December 6, 2021
Benchmark study on deep neural network potentials for small organic molecules
Rohit Modee, Siddhartha Laghuvarapu, U Deva Priyakumar
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.
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2021
DART: deep learning enabled topological interaction model for energy prediction of metal clusters and its application in identifying unique low energy isomers
Rohit Modee, Sheena Agarwal, Ashwini Verma, et al.
Journal of Computational Chemistry
|
May 3, 2024
Deep reinforcement learning in chemistry: A review
Bhuvanesh Sridharan, Animesh Sinha, Jai Bardhan, 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