diff --git a/docs/source/dataset.rst b/docs/source/dataset.rst index 93ad28ab..b98345b4 100644 --- a/docs/source/dataset.rst +++ b/docs/source/dataset.rst @@ -35,6 +35,8 @@ Parsers chainer_chemistry.dataset.parsers.BaseParser chainer_chemistry.dataset.parsers.CSVFileParser chainer_chemistry.dataset.parsers.SDFFileParser + chainer_chemistry.dataset.parsers.DataFrameParser + chainer_chemistry.dataset.parsers.SmilesParser Preprocessors @@ -89,3 +91,4 @@ Splitters chainer_chemistry.dataset.splitters.RandomSplitter chainer_chemistry.dataset.splitters.StratifiedSplitter + chainer_chemistry.dataset.splitters.ScaffoldSplitter diff --git a/docs/source/datasets.rst b/docs/source/datasets.rst index b75511f6..22c9582d 100644 --- a/docs/source/datasets.rst +++ b/docs/source/datasets.rst @@ -23,3 +23,4 @@ Dataset loaders chainer_chemistry.datasets.tox21.get_tox21 chainer_chemistry.datasets.qm9.get_qm9 chainer_chemistry.datasets.molnet.get_molnet_dataset + chainer_chemistry.datasets.molnet.get_molnet_dataframe diff --git a/docs/source/reference.rst b/docs/source/reference.rst index cf325e5c..dbbf70ec 100644 --- a/docs/source/reference.rst +++ b/docs/source/reference.rst @@ -12,3 +12,4 @@ API Reference links models utils + training diff --git a/docs/source/training.rst b/docs/source/training.rst new file mode 100644 index 00000000..7f61c966 --- /dev/null +++ b/docs/source/training.rst @@ -0,0 +1,16 @@ +========= +Training +========= + + + +Extensions +========== + +.. autosummary:: + :toctree: generated/ + :nosignatures: + + chainer_chemistry.training.extensions.batch_evaluator.BatchEvaluator + chainer_chemistry.training.extensions.roc_auc_evaluator.ROCAUCEvaluator + chainer_chemistry.training.extensions.prc_auc_evaluator.PRCAUCEvaluator \ No newline at end of file