dmlc--dgl
Mufei Li
62 行
1.2 KiB
ReStructuredText
62 行
1.2 KiB
ReStructuredText
.. _apidata:
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Datasets
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========
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.. contents:: Contents
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:local:
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Molecular Property Prediction
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-----------------------------
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Tox21
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`````
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.. autoclass:: dgllife.data.Tox21
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:members: task_pos_weights, __getitem__, __len__
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:show-inheritance:
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Alchemy for Quantum Chemistry
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`````````````````````````````
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.. autoclass:: dgllife.data.TencentAlchemyDataset
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:members: set_mean_and_std, __getitem__, __len__
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Pubmed Aromaticity
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``````````````````
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.. autoclass:: dgllife.data.PubChemBioAssayAromaticity
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:members: __getitem__, __len__
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:show-inheritance:
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Adapting to New Datasets with CSV
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`````````````````````````````````
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.. autoclass:: dgllife.data.MoleculeCSVDataset
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:members: __getitem__, __len__
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Reaction Prediction
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-------------------
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USPTO
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`````
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.. autoclass:: dgllife.data.USPTO
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:members: __getitem__, __len__
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:show-inheritance:
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Adapting to New Datasets for Weisfeiler-Lehman Networks
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```````````````````````````````````````````````````````
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.. autoclass:: dgllife.data.WLNReactionDataset
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:members: __getitem__, __len__
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Protein-Ligand Binding Affinity Prediction
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------------------------------------------
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PDBBind
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```````
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.. autoclass:: dgllife.data.PDBBind
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:members: __getitem__, __len__
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