Removing a number of outdated RST files. (df328e14) · Commits · 钟慕尧 / deepchem

README.md

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		DeepChem
		=============

		Deep Learning Toolchain for Drug Discovery and Quantum Chemistry. DeepChem is a package by the [Pande group](https://pande.stanford.edu/) at Stanford. For more information, see the "About Us" section below.
		DeepChem aims to provide a high quality open-source toolchain for
		democratizing the use of deep-learning in drug discovery and quantum
		chemistry. DeepChem
		is a package developed by the [Pande group](https://pande.stanford.edu/) at
		Stanford and originally created by [Bharath Ramsundar](http://rbharath.github.io/).

		Requirements
		------------
		@@ -192,6 +196,12 @@ featurization class ``DataFeaturizer``. Instances of this class must be
		passed a ``Featurizer`` object. ``deepchem`` provides a number of
		different subclasses of ``Featurizer`` for convenience:

		DeepChem Publications
		---------------------
		1. [Computational Modeling of β-secretase 1 (BACE-1) Inhibitors using
		Ligand Based
		Approaches](http://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00290)

		About Us
		--------
		DeepChem is a package by the [Pande group](https://pande.stanford.edu/) at Stanford. DeepChem was originally created by [Bharath Ramsundar](http://rbharath.github.io/), and has grown through the contributions of a number of undergraduate, graduate, and postdoctoral researchers working with the Pande lab.

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		deepchem.featurizers.basic
		==========================

		.. automodule:: deepchem.featurizers.basic







		.. rubric:: Classes

		.. autosummary::

		Featurizer
		MolecularWeight
		RDKitDescriptors






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		deepchem.featurizers.coulomb_matrices
		=====================================

		.. automodule:: deepchem.featurizers.coulomb_matrices



		.. rubric:: Functions

		.. autosummary::

		pad_array





		.. rubric:: Classes

		.. autosummary::

		CoulombMatrix
		Featurizer






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		deepchem.featurizers.featurize.DataFeaturizer
		=============================================

		.. currentmodule:: deepchem.featurizers.featurize

		.. autoclass:: DataFeaturizer


		.. automethod:: __init__


		.. rubric:: Methods

		.. autosummary::

		~DataFeaturizer.__init__
		~DataFeaturizer.featurize






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		deepchem.featurizers.fingerprints
		=================================

		.. automodule:: deepchem.featurizers.fingerprints







		.. rubric:: Classes

		.. autosummary::

		CircularFingerprint
		Featurizer






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