The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysis

1 code implementation • 17 Jun 2022 • Richard Tran, Janice Lan, Muhammed Shuaibi, Siddharth Goyal, Brandon M. Wood, Abhishek Das, Javier Heras-Domingo, Adeesh Kolluru, Ammar Rizvi, Nima Shoghi, Anuroop Sriram, Zachary Ulissi, C. Lawrence Zitnick

The dataset and baseline models are open sourced, and a public leaderboard will follow to encourage continued community developments on the total energy tasks and data.

BIG-bench Machine Learning Total Energy