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3.15 million representative non-covalent dimers and energies from the PDB

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PDB-FRAGID

3.15 million representative non-covalent dimers and energies from the PDB

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download from https://zenodo.org/records/18213106 or using zenodo-get:

pip install zenodo-get
zenodo-get 10.5281/zenodo.18213106

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Developing a Machine-Learning Interatomic Potential for Non-Covalent Interactions in Proteins

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3.15 million representative non-covalent dimers and energies from the PDB

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