Siddhartha Laghuvarapu

MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards

Manan Goel, Shampa Raghunathan, Siddhartha Laghuvarapu et al. · Journal of Chemical Information and Modeling · 2021 · 42 citations

Drug Target, Engineering, Machine Learning +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

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

Siddhartha Laghuvarapu, Yashaswi Pathak, U. Deva Priyakumar · Journal of Computational Chemistry · 2019 · 35 citations

Artificial Intelligence, Engineering, Neural Network +18

DeepSPInN – deep reinforcement learning for molecular structure prediction from infrared and ¹³ C NMR spectra

Sriram Devata, Bhuvanesh Sridharan, Sarvesh Mehta et al. · Digital Discovery · 2024 · 11 citations · Full text