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Guaranteed-Non-Local-Molecular-Dataset
Guaranteed-Non-Local-Molecular-Dataset PublicA dataset for benchmarking non-local capabilities of geometric machine learning models.
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resources
resources PublicForked from ai4er-cdt/resources
The default repo for wiki and issues relating to the AI4ER CDT
Shell
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ase-espresso
ase-espresso PublicForked from lmmentel/ase-espresso
ase interface for Quantum Espresso
Python
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