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open-catalyst-project

Here are 2 public repositories matching this topic...

Junhepark / Surface-Adsorption-and-Geometry-Evaluator-SAGE-

ML-assisted electrocatalyst screening workflow

computational-chemistry streamlit electrocatalysis open-catalyst-project catalyst-screening

Updated May 30, 2026
Python

sedaoturak / OC22_adsorption_energy

Notebook for calculating adsorption energy from the total energies in OC22 dataset.

ocp catalysts adsorption-energy catalyst-design open-catalyst-project

Updated Feb 5, 2026
Jupyter Notebook

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