Gary Tom

According to our database, Gary Tom authored at least 9 papers between 2022 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

El Agente: An Autonomous Agent for Quantum Chemistry.

Yunheng Zou, Austin H. Cheng, Abdulrahman Aldossary, Jiaru Bai, Shi Xuan Leong, Jorge A. Campos Gonzalez Angulo, Changhyeok Choi, Cher Tian Ser, Gary Tom, Andrew Wang, Zijian Zhang, Ilya Yakavets, Han Hao, Chris Crebolder, Varinia Bernales, Alán Aspuru-Guzik

CoRR, May, 2025

From Molecules to Mixtures: Learning Representations of Olfactory Mixture Similarity using Inductive Biases.

Gary Tom, Cher Tian Ser, Ella M. Rajaonson, Stanley Lo, Hyun Suk Park, Brian K. Lee, Benjamín Sánchez-Lengeling

CoRR, January, 2025

2024

Towards the prediction of drug solubility in binary solvent mixtures at various temperatures using machine learning.

Zeqing Bao, Gary Tom, Austin H. Cheng, Jeffrey Watchorn, Alán Aspuru-Guzik, Christine Allen

J. Cheminformatics, December, 2024

Ranking over Regression for Bayesian Optimization and Molecule Selection.

Gary Tom, Stanley Lo, Samantha Corapi, Alán Aspuru-Guzik, Benjamín Sánchez-Lengeling

CoRR, 2024

2023

Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design.

AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, John Willes, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

GAUCHE: A Library for Gaussian Processes in Chemistry.

Ryan-Rhys Griffiths, Leo Klarner, Henry B. Moss, Aditya Ravuri, Sang Truong, Yuanqi Du, Samuel Stanton, Gary Tom, Bojana Rankovic, Arian Rokkum 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 A. Lee, Bingqing Cheng, Alán Aspuru-Guzik, Philippe Schwaller, Jian Tang

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022

SELFIES and the future of molecular string representations.

Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik

Patterns, 2022

Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS.

Gary Tom, Riley J. Hickman, Aniket Zinzuwadia, Afshan Mohajeri, Benjamín Sánchez-Lengeling, Alán Aspuru-Guzik

CoRR, 2022

Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design.

AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik

CoRR, 2022