Datasets › OC20
OC20 (Open Catalyst 2020)
Open Catalyst 2020 is a dataset for catalysis in chemical engineering. Focusing on molecules that are important in renewable energy applications, the OC20 data set comprises over 1.3 million relaxations of molecular adsorptions onto surfaces, the largest data set of electrocatalyst structures to date.
Benchmarks archive 2025-07-28
All 1 leaderboard whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.
| First row (archive order) | Paper | Code | ||||
|---|---|---|---|---|---|---|
| Initial Structure to Relaxed Energy (IS2RE) | OC20 | GemNet-OC Energy MAE 0.348 | GemNet-OC: Developing Graph Neural Networks for Large... | — | 4 | Compare |
Papers archive 2025-07-28
4 shown of 4 papers with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 77. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.
| Date | Samples run Syntology | |||
|---|---|---|---|---|
| GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets | 0 | 1 | 6 Apr 2022 | not harvested |
| Towards Training Billion Parameter Graph Neural Networks for Atomic Simulations | 1 | 1 | 18 Mar 2022 | not harvested |
| Rotation Invariant Graph Neural Networks using Spin Convolutions | 1 | 1 | 17 Jun 2021 | not harvested |
| Simple GNN Regularisation for 3D Molecular Property Prediction & Beyond | 1 | 1 | 15 Jun 2021 | ran 1 of 1 samples (0 unverified; 1 pointer-only for licence) |
Dataset loaders archive 2025-07-28
1 loader as listed in the archive; links are outbound and not re-checked here.
Tasks archive 2025-07-28
License archive 2025-07-28
Creative Commons Attribution 4.0 License
Modalities archive 2025-07-28
No modality tagged.
Languages archive 2025-07-28
No language tagged.
Variants archive 2025-07-28
- OC20
1 variant name, as the archive lists them.
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