Catalyst — Catalyst 0.4.0 documentation

Catalyst — Catalyst 0.4.0 documentation

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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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Accelerating the evaluation of crucial descriptors for catalyst screening via message passing neural network - Digital Discovery (RSC Publishing) DOI:10.1039/D2DD00088A