The NVIDIA PilotNet Experiments. - Mariusz Bojarski; Chenyi Chen; Joyjit Daw; Alperen Degirmenci; Joya Deri; Bernhard Firner; Beat Flepp; Sachin Gogri; Jesse Hong; Lawrence D. Jackel; Zhenhua Jia; B. J. Lee; et al. (CoRR, 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)