Formatting

from deepchem.molnet.load_function.load_dataset_template import load_mydataset

from deepchem.molnet.load_function.bace_datasets import load_bace_classification, load_bace_regression

from deepchem.molnet.load_function.bbbc_datasets import load_bbbc001, load_bbbc002

from deepchem.molnet.load_function.bbbp_datasets import load_bbbp

1. Open an `issue <https://github.com/deepchem/deepchem/issues>`_ to discuss the dataset you want to add to MolNet.

2. Implement a function in the ``deepchem.molnet.load_function`` module following the template function ``deepchem.molnet.load_function.load_mydataset``.

2. Implement a function in the `deepchem.molnet.load_function <https://github.com/deepchem/deepchem/tree/master/deepchem/molnet/load_function>`_ module following the template function `deepchem.molnet.load_function.load_mydataset <https://github.com/deepchem/deepchem/blob/master/deepchem/molnet/load_function/load_mydataset.py>`_.

3. Add your load function to ``deepchem.molnet.__init__.py`` for easy importing.

3. Add your load function to `deepchem.molnet.__init__.py <https://github.com/deepchem/deepchem/blob/master/deepchem/molnet/__init__.py>`_ for easy importing.

4. Prepare your dataset as a .tar.gz or .zip file. Accepted filetypes include CSV, JSON, and SDF.

Load Dataset Template

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.. autofunction:: deepchem.molnet.load_mydataset

.. autofunction:: deepchem.molnet.load_function.load_mydataset

BACE Dataset

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### Template for pull request contributing a new dataset to MoleculeNet

Category: {Quantum Mechanics, Physical Chemistry, Biophysics, Physiology}  

Category: {Quantum Mechanics, Materials Science, Physical Chemistry, Biophysics, Physiology}  

Dataset: {short name identifying dataset}  

Data Type: {SMILES, 3D coordinates}  

Task Type: {Regression, Classification}