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6 results in Authors: Yashaswi Pathak

Theoretical and Computational Chemistry

Working Paper

Deep Learning Enabled Inorganic Material Generator

Yashaswi Pathak, Karandeep Singh Juneja, Girish Varma, Masahiro Ehara, U. Deva Priyakumar

Version 1 posted 18 May 2020

1,788

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Theoretical and Computational Chemistry

Working Paper

Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules

Yashaswi Pathak, Siddhartha Laghuvarapu, Sarvesh Mehta, U. Deva Priyakumar

Version 2 posted 10 December 2019

1,391

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Theoretical and Computational Chemistry

Working Paper

BAND NN: A Deep Learning Framework For Energy Prediction and Geometry Optimization of Organic Small Molecules

Siddhartha Laghuvarapu, Yashaswi Pathak, U. Deva Priyakumar

Version 1 posted 06 September 2019

1,256

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Theoretical and Computational Chemistry

Working Paper

Spectra to Structure: Deep Reinforcement Learning for Molecular Inverse Problem

Bhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak, U. Deva Priyakumar

Version 1 posted 16 December 2021

578

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Citations

Theoretical and Computational Chemistry

Working Paper

MEMES: Machine learning framework for Enhanced MolEcular Screening

Sarvesh Mehta, Siddhartha Laghuvarapu, Yashaswi Pathak, Aaftaab Sethi, Mallika Alvala, U. Deva Priyakumar

Version 2 posted 15 July 2021

939

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Theoretical and Computational Chemistry

Working Paper

DeepSPInN - Deep reinforcement learning for molecular Structure Prediction from Infrared and 13C NMR spectra

Sriram Devata, Bhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak, Siddhartha Laghuvarapu, Girish Varma, Deva Priyakumar

Version 2 posted 17 January 2024

637

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6 results in Yashaswi Pathak in Authors: Yashaswi Pathak

Deep Learning Enabled Inorganic Material Generator

Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules

BAND NN: A Deep Learning Framework For Energy Prediction and Geometry Optimization of Organic Small Molecules

Spectra to Structure: Deep Reinforcement Learning for Molecular Inverse Problem

MEMES: Machine learning framework for Enhanced MolEcular Screening

DeepSPInN - Deep reinforcement learning for molecular Structure Prediction from Infrared and 13C NMR spectra

6 results in Authors: Yashaswi Pathak