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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
Journal of Computational Chemistry
|
December 18, 2019
BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small Molecules
Siddhartha Laghuvarapu, Yashaswi Pathak, 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.
Journal of Chemical Information and Modeling
|
December 6, 2021
MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards
Manan Goel, Shampa Raghunathan, Siddhartha Laghuvarapu, et al.
Scientific Reports
|
November 29, 2023
Streamlining pipeline efficiency: a novel model-agnostic technique for accelerating conditional generative and virtual screening pipelines
Karthik Viswanathan, Manan Goel, 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.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) 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
Journal of Computational Chemistry
|
December 18, 2019
BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small Molecules
Siddhartha Laghuvarapu, Yashaswi Pathak, 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.
Journal of Chemical Information and Modeling
|
December 6, 2021
MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards
Manan Goel, Shampa Raghunathan, Siddhartha Laghuvarapu, et al.
Scientific Reports
|
November 29, 2023
Streamlining pipeline efficiency: a novel model-agnostic technique for accelerating conditional generative and virtual screening pipelines
Karthik Viswanathan, Manan Goel, 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.
Page
of 1