Siddhartha Laghuvarapu

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Publications (5)

• Benchmark study on deep neural network potentials for small organic molecules
  Rohit Modee, Siddhartha Laghuvarapu, U. Deva Priyakumar
  Journal of Computational Chemistry 2022 DOI: 10.1002/jcc.26790
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• MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards
  Manan Goel, Shampa Raghunathan, Siddhartha Laghuvarapu

  +1 more

  • U. Deva Priyakumar
  Journal of Chemical Information and Modeling 2021 DOI: 10.1021/acs.jcim.1c01341
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• MEMES: Machine learning framework for Enhanced MolEcular Screening
  Sarvesh Mehta, Siddhartha Laghuvarapu, Yashaswi Pathak +3 more
  Chemical Science 2021 DOI: 10.1039/d1sc02783b
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• Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules
  Proceedings of the AAAI Conference on Artificial Intelligence 2020 DOI: 10.1609/aaai.v34i01.5433
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• BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small Molecules
  Journal of Computational Chemistry 2020 DOI: 10.1002/jcc.26128
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