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Modular Installation of Calculator Packages in HPC Environment
To record the installation of Python packages for high-throughput screening on a certain HPC platform and the modular process. 1. Preparation work # C...
2024-11-02
Fair-Chem Environment Installation Guide - Based on Conda Env
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fairchem is the FAIR Chemistry's centralized repository of all its data, models, demos, and application efforts for materials science and quantum chem...
2024-10-28
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