Tom, Gary

6 publications

ICLRW 2025 Does This Smell the Same? Learning Representations of Olfactory Mixtures Using Inductive Biases Gary Tom, Cher Tian Ser, Ella Miray Rajaonson, Stanley Lo, Hyun Suk Park, Brian Lee, Benjamin Manuel Sanchez

NeurIPSW 2024 Dimension Deficit: Is 3D a Step Too Far for Optimizing Molecules? Andres Guzman Cordero, Luca Thiede, Gary Tom, Alan Aspuru-Guzik, Felix Strieth-Kalthoff, Agustinus Kristiadi

NeurIPS 2023 GAUCHE: A Library for Gaussian Processes in Chemistry Ryan-Rhys Griffiths, Leo Klarner, Henry Moss, Aditya Ravuri, Sang Truong, Yuanqi Du, Samuel Stanton, Gary Tom, Bojana Rankovic, Arian Jamasb, Aryan Deshwal, Julius Schwartz, Austin Tripp, Gregory Kell, Simon Frieder, Anthony Bourached, Alex Chan, Jacob Moss, Chengzhi Guo, Johannes Peter Dürholt, Saudamini Chaurasia, Ji Won Park, Felix Strieth-Kalthoff, Alpha Lee, Bingqing Cheng, Alan Aspuru-Guzik, Philippe Schwaller, Jian Tang

NeurIPSW 2023 Machine Learning Guided AQFEP: A Fast & Efficient Absolute Free Energy Perturbation Solution for Virtual Screening Jordan Crivelli-Decker, Zane Beckwith, Gary Tom, Ly Le, Sheenam Khuttan, Romelia Salomon-Ferrer, Jackson Beall, Andrea Bortolato

NeurIPS 2023 Tartarus: A Benchmarking Platform for Realistic and Practical Inverse Molecular Design AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, John Willes, Luca Thiede, Anshul Kundaje, Alan Aspuru-Guzik

NeurIPSW 2022 Assessing Multi-Objective Optimization of Molecules with Genetic Algorithms Against Relevant Baselines Nathanael Kusanda, Gary Tom, Riley Hickman, AkshatKumar Nigam, Kjell Jorner, Alan Aspuru-Guzik