• Open Catalyst codebase: https://github.com/Open-Catalyst-Project/ocp/
• Open Catalyst webpage: https://opencatalystproject.org/
• Electrocatalysis white paper: C. Lawrence Zitnick, Lowik Chanussot, Abhishek Das, Siddharth Goyal, Javier Heras-Domingo, Caleb Ho, Weihua Hu, Thibaut Lavril, Aini Palizhati, Morgane Riviere, Muhammed Shuaibi, Anuroop Sriram, Kevin Tran, Brandon Wood, Junwoong Yoon, Devi Parikh, Zachary Ulissi: “An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage”, 2020; arXiv:2010.09435.
• OC20 dataset paper: L. Chanussot, A. Das, S. Goyal, T. Lavril, M. Shuaibi, M. Riviere, K. Tran, J. Heras-Domingo, C. Ho, W. Hu, A. Palizhati, A. Sriram, B. Wood, J. Yoon, D. Parikh, C. L. Zitnick, and Z. Ulissi. The Open Catalyst 2020 (oc20) dataset and community challenges. ACS Catalysis, 2021.
• Gemnet model: Johannes Klicpera, Florian Becker, and Stephan Günnemann. Gemnet: Universal directional graph neural networks for molecules, 2021.