pablo-unzueta

Pablo Unzueta's repositories

dml-nmr, python scripts for nuclear magnetic resonance machine learning

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Crystal graph attention neural networks for materials prediction

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cif2cell compatible with Python 3+

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Code for density-based many body expansion

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implementation of enn's for learning purposes

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https://opencatalystproject.org/

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example NN code for PD

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TARGET - Torch AIMS Reimplementation for General Electronic sTructure packages

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personalized github action workflows

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