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The Open Catalyst Challenge 2021: Competition Report.

Abhishek Das,Muhammed Shuaibi,Aini Palizhati,Siddharth Goyal,Aditya Grover,Adeesh Kolluru,Janice Lan,Ammar Rizvi,Anuroop Sriram,Brandon Wood,Devi Parikh,Zachary Ulissi,C. Lawrence Zitnick,Guolin Ke,Shuxin Zheng,Yu Shi,Di He,Tie-Yan Liu,Chengxuan Ying,Jiacheng You,Yihan He,Rostislav Grigoriev,Ruslan Lukin,Adel Yarullin,Max Faleev

NEURIPS 2021 COMPETITIONS AND DEMONSTRATIONS TRACK, VOL 176（2021）

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catalysis,graph neural networks,renewable energy,density functional theory
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