​​2nd Open Catalyst Challenge at NeurIPS 2022

The largest benchmark for equivariant GNNs announced its 2nd edition to be co-located with NeurIPS 2022. From the official announcement:

“This year's challenge focuses on the same task -- Initial Structure to Relaxed Energy (IS2RE) -- as last year. The primary differences are: 1) instead of two tracks, we will have a single track where using the IS2RE data and/or the Structure-to-Energy-Forces (S2EF) 2M training data is allowed. 2) A new test-challenge split will be released in September specifically for this year's challenge.”

Using an additional S2EF data as a training signal leads to consistently better performance, so you can now properly scale up and invest a few thousand GPU / TPU / GraphCore hours! (pun intended, yours truly wrote this message on a basic GPU-free laptop). Well, Open Catalyst is a notorious infrastructure-demanding challenge.