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README.md
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- ['label'] 1 for better binding, 0 for worse or equal.
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- ['token_type_ids'] A mask that corresponds to which `inputs_ids`/`coords` belong to the mutated or original atoms (0 for mutated , 1 for original)
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- ['label'] 1 for better binding, 0 for worse or equal.
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- ['token_type_ids'] A mask that corresponds to which `inputs_ids`/`coords` belong to the mutated or original atoms (0 for mutated , 1 for original)
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## Citation Information
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```
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@article{townshend2020atom3d,
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title={Atom3d: Tasks on molecules in three dimensions},
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author={Townshend, Raphael JL and V{\"o}gele, Martin and Suriana, Patricia and Derry, Alexander and Powers, Alexander and Laloudakis, Yianni and Balachandar, Sidhika and Jing, Bowen and Anderson, Brandon and Eismann, Stephan and others},
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journal={arXiv preprint arXiv:2012.04035},
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year={2020}
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}
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```
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```
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@article{jankauskaite2019skempi,
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title={SKEMPI 2.0: an updated benchmark of changes in protein--protein binding energy, kinetics and thermodynamics upon mutation},
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author={Jankauskait{\.e}, Justina and Jim{\'e}nez-Garc{\'\i}a, Brian and Dapk{\=u}nas, Justas and Fern{\'a}ndez-Recio, Juan and Moal, Iain H},
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journal={Bioinformatics},
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volume={35},
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number={3},
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pages={462--469},
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year={2019},
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publisher={Oxford University Press}
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}
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```
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