Loading deepchem/featurizers/nnscore.py +1 −1 Original line number Diff line number Diff line """ The following code implements a featurizer based on NNScore 2.0.1 Protein-ligand noncovalent chemistry descriptors """ from __future__ import print_function from __future__ import division Loading docs/_featurization/deepchem.featurizers.basic.rst 0 → 100644 +24 −0 Original line number Diff line number Diff line deepchem.featurizers.basic ========================== .. automodule:: deepchem.featurizers.basic .. rubric:: Classes .. autosummary:: Featurizer MolecularWeight RDKitDescriptors No newline at end of file docs/_featurization/deepchem.featurizers.coulomb_matrices.rst 0 → 100644 +29 −0 Original line number Diff line number Diff line deepchem.featurizers.coulomb_matrices ===================================== .. automodule:: deepchem.featurizers.coulomb_matrices .. rubric:: Functions .. autosummary:: pad_array .. rubric:: Classes .. autosummary:: CoulombMatrix Featurizer No newline at end of file docs/_featurization/deepchem.featurizers.featurize.DataFeaturizer.rst 0 → 100644 +23 −0 Original line number Diff line number Diff line deepchem.featurizers.featurize.DataFeaturizer ============================================= .. currentmodule:: deepchem.featurizers.featurize .. autoclass:: DataFeaturizer .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~DataFeaturizer.__init__ ~DataFeaturizer.featurize No newline at end of file docs/_featurization/deepchem.featurizers.fingerprints.rst 0 → 100644 +23 −0 Original line number Diff line number Diff line deepchem.featurizers.fingerprints ================================= .. automodule:: deepchem.featurizers.fingerprints .. rubric:: Classes .. autosummary:: CircularFingerprint Featurizer No newline at end of file Loading
deepchem/featurizers/nnscore.py +1 −1 Original line number Diff line number Diff line """ The following code implements a featurizer based on NNScore 2.0.1 Protein-ligand noncovalent chemistry descriptors """ from __future__ import print_function from __future__ import division Loading
docs/_featurization/deepchem.featurizers.basic.rst 0 → 100644 +24 −0 Original line number Diff line number Diff line deepchem.featurizers.basic ========================== .. automodule:: deepchem.featurizers.basic .. rubric:: Classes .. autosummary:: Featurizer MolecularWeight RDKitDescriptors No newline at end of file
docs/_featurization/deepchem.featurizers.coulomb_matrices.rst 0 → 100644 +29 −0 Original line number Diff line number Diff line deepchem.featurizers.coulomb_matrices ===================================== .. automodule:: deepchem.featurizers.coulomb_matrices .. rubric:: Functions .. autosummary:: pad_array .. rubric:: Classes .. autosummary:: CoulombMatrix Featurizer No newline at end of file
docs/_featurization/deepchem.featurizers.featurize.DataFeaturizer.rst 0 → 100644 +23 −0 Original line number Diff line number Diff line deepchem.featurizers.featurize.DataFeaturizer ============================================= .. currentmodule:: deepchem.featurizers.featurize .. autoclass:: DataFeaturizer .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~DataFeaturizer.__init__ ~DataFeaturizer.featurize No newline at end of file
docs/_featurization/deepchem.featurizers.fingerprints.rst 0 → 100644 +23 −0 Original line number Diff line number Diff line deepchem.featurizers.fingerprints ================================= .. automodule:: deepchem.featurizers.fingerprints .. rubric:: Classes .. autosummary:: CircularFingerprint Featurizer No newline at end of file
