Yashaswi Pathak

Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural Networks

Yashaswi Pathak, Sarvesh Mehta, U. Deva Priyakumar · Journal of Chemical Information and Modeling · 2021 · 58 citations

Engineering, Computational Chemistry, Chemistry +18

Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning

Sai Krishna Gottipati, Boris Sattarov, Sufeng Niu et al. · PolyPublie (École Polytechnique de Montréal) · 2020 · 52 citations · Full text

Artificial Intelligence, Engineering, Machine Learning +18

Deep learning enabled inorganic material generator

Yashaswi Pathak, Karandeep Singh Juneja, Girish Varma et al. · Physical Chemistry Chemical Physics · 2020 · 49 citations

Artificial Intelligence, Ding Architecture, Engineering +16

MEMES: Machine learning framework for Enhanced MolEcular Screening

Sarvesh Mehta, Siddhartha Laghuvarapu, Yashaswi Pathak et al. · Chemical Science · 2021 · 37 citations · Full text

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

Yashaswi Pathak, Siddhartha Laghuvarapu, Sarvesh Mehta et al. · Proceedings of the AAAI Conference on Artificial Intelligence · 2020 · 36 citations · Full text

Engineering, Neural Network, Interaction Network +20