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Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

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Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

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materialsproject / atomate2

atomate2 is a library of computational materials science workflows

Python 156 88 Updated Oct 3, 2024

ulissigroup / vasp-interactive

Jupyter Notebook 58 12 Updated May 4, 2023

Open-Catalyst-Project / Open-Catalyst-Dataset

Workflow for creating and analyzing the Open Catalyst Dataset

Python 88 32 Updated Jun 14, 2024

materialsvirtuallab / mlearn

Benchmark Suite for Machine Learning Interatomic Potentials for Materials

Python 105 27 Updated Feb 22, 2022