Maria Korshunova

OpenChem: A Deep Learning Toolkit for Computational Chemistry and Drug Design

Maria Korshunova, Boris Ginsburg, Alexander Tropsha et al. · Journal of Chemical Information and Modeling · 2021 · 110 citations

Pharmacy, Chemistry, Medicinal Chemistry +14

Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds

Maria Korshunova, Niles Huang, Stephen J. Capuzzi et al. · Communications Chemistry · 2022 · 104 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +12

ProT-VAE: Protein Transformer Variational AutoEncoder for Functional Protein Design

Emre Sevgen, Joshua Moller, Adrian Lange et al. · bioRxiv (Cold Spring Harbor Laboratory) · 2023 · 36 citations · Full text

Engineering, Bioinformatics, Biological Engineering +15

BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery

Peter C. St. John, Dejun Lin, P. Binder et al. · arXiv (Cornell University) · 2024 · 11 citations · Full text

Engineering, Bioinformatics, Computational Biology +12

ProT-VAE: Protein Transformer Variational AutoEncoder for functional protein design

Emre Sevgen, Joshua Moller, Adrian Lange et al. · Proceedings of the National Academy of Sciences · 2025 · 11 citations · Full text

Engineering, Bioinformatics, Biological Engineering +15