Rohit Modee

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Active since

2021

Affiliations

International Institute of Information Technology, Hyderabad(Current)

Rohit Modee is an author at International Institute of Information Technology, Hyderabad specializing in chemical space exploration, machine learning potential energy surfaces, and physical chemistry.

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Publications per year

2021–2023

Publications

PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications

Divya B. Korlepara, C. S. Vasavi, Shruti Jeurkar et al. · Scientific Data · 2022 · 25 citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +17

DART: deep learning enabled topological interaction model for energy prediction of metal clusters and its application in identifying unique low energy isomers

Rohit Modee, Sheena Agarwal, Ashwini Verma et al. · Physical Chemistry Chemical Physics · 2021 · 13 citations

Natural Sciences, Chemistry, Physics +17

MolOpt: Autonomous Molecular Geometry Optimization Using Multiagent Reinforcement Learning

Rohit Modee, Sarvesh Mehta, Siddhartha Laghuvarapu et al. · The Journal of Physical Chemistry B · 2023 · 10 citations

Computing, Autonomous Systems, Computational Chemistry +13

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