Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning. - W. F. Drew Bennett; Stewart He; Camille L. Bilodeau; Derek Jones; Delin Sun; Hyojin Kim 001; Jonathan E. Allen; Felice C. Lightstone; Helgi I. Ingólfsson (J. Chem. Inf. Model., 2020)

Deep Interactions for Multimodal Molecular Property Prediction. - Patrick Soga; Zhenyu Lei 004; Camille L. Bilodeau; Jundong Li (PAKDD (2), 2025)