bhuv's notebook

Publications

Here are few of my publications. You can find the updated list at my google scholar

Efficient and enhanced sampling of drug‐like chemical space for virtual screening and molecular design using modern machine learning methods

Feb 28, 2023 Efficient and enhanced sampling of drug‐like chemical space for virtual screening and molecular design using modern machine learning methods

DeepSPInN-multimodal Deep learning for molecular Structure Prediction from Infrared and NMR spectra

Feb 28, 2023 DeepSPInN-multimodal Deep learning for molecular Structure Prediction from Infrared and NMR spectra

Plas-5k: Dataset of protein-ligand affinities from molecular dynamics for machine learning applications

Feb 28, 2022 Plas-5k: Dataset of protein-ligand affinities from molecular dynamics for machine learning applications

Modern machine learning for tackling inverse problems in chemistry: molecular design to realization

Feb 28, 2022 Modern machine learning for tackling inverse problems in chemistry: molecular design to realization

Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure

Feb 28, 2022 Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure