Richard Tran,
Janice Lan,
Muhammed Shuaibi,
Brandon M. Wood,
Siddharth Goyal,
Abhishek Das,
Javier Heras-Domingo,
Adeesh Kolluru,
Ammar Rizvi,
Nima Shoghi,
Anuroop Sriram,
Felix Therrien,
Jehad Abed,
Oleksandr Voznyy,
Edward H. Sargent,
Zachary Ulissi,
C. Lawrence Zitnick,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
In-domain validation configurations for the initial structure to relaxed total energy (IS2RE) task of OC22. Open Catalyst 2022 (OC22) is a database of training trajectories for predicting catalytic reactions on oxide surfaces meant to complement OC20, which did not contain oxide surfaces.