Automated patent extraction powers generative modeling in focused chemical spaces. - Akshay Subramanian; Kevin P. Greenman; Alexis Gervaix; Tzuhsiung Yang; Rafael Gómez-Bombarelli (CoRR, 2023)

Symmetry-Constrained Generation of Diverse Low-Bandgap Molecules with Monte Carlo Tree Search. - Akshay Subramanian; James K. Damewood; Juno Nam; Kevin P. Greenman; Avni P. Singhal; Rafael Gómez-Bombarelli (CoRR, 2024)

Chemprop: A Machine Learning Package for Chemical Property Prediction. - Esther Heid; Kevin P. Greenman; Yunsie Chung; Shih-Cheng Li; David E. Graff; Florence H. Vermeire; Haoyang Wu; William H. Green Jr.; Charles McGill (J. Chem. Inf. Model., 2024)

Benchmarking uncertainty quantification for protein engineering. - Kevin P. Greenman; Ava P. Amini; Kevin K. Yang (PLoS Comput. Biol., 2025)

Known Unknowns: Out-of-Distribution Property Prediction in Materials and Molecules. - Nofit Segal; Aviv Netanyahu; Kevin P. Greenman; Pulkit Agrawal 001; Rafael Gómez-Bombarelli (CoRR, 2025)