TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials. - Xiang Gao; Farhad Ramezanghorbani; Olexandr Isayev; Justin S. Smith; Adrian E. Roitberg (J. Chem. Inf. Model., 2020)

BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery. - Peter St. John; Dejun Lin; Polina Binder; Malcolm Greaves; Vega Shah; John St. John; Adrian Lange; Patrick D. Hsu; Rajesh Illango; Arvind Ramanathan; Anima Anandkumar; David H. Brookes; et al. (CoRR, 2024)

ToxBench: A Binding Affinity Prediction Benchmark with AB-FEP-Calculated Labels for Human Estrogen Receptor Alpha. - Meng Liu 015; Karl Leswing; Simon K. S. Chu; Farhad Ramezanghorbani; Griffin Young; Gabriel Marques; Prerna Das; Anjali Panikar; Esther Jamir; Mohammed Sulaiman Shamsudeen; K. Shawn Watts; Ananya Sen; et al. (CoRR, 2025)