Release, 0.4.0,. Catalyst is currently under heavy development — if you have suggestions on the API or use-cases you’d like to be covered, please open an GitHub issue or reach out. We’d love to hea
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Catalyst — Catalyst 22.04 documentation
ocp/DATASET.md at main · Open-Catalyst-Project/ocp · GitHub
Open Catalyst 2020 (OC20) Dataset and Community Challenges
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Open Catalyst 2020 (OC20) Dataset and Community Challenges
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Open Catalyst 2020 (OC20) Dataset and Community Challenges
Accelerating the evaluation of crucial descriptors for catalyst screening via message passing neural network - Digital Discovery (RSC Publishing) DOI:10.1039/D2DD00088A