scikit-chem
0.0.6
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An introduction to scikit-chem
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All modules for which code is available
skchem.base
skchem.core.atom
skchem.core.base
skchem.core.bond
skchem.core.conformer
skchem.core.mol
skchem.core.point
skchem.cross_validation.similarity_threshold
skchem.data.converters.base
skchem.data.converters.bradley_open_mp
skchem.data.converters.bursi_ames
skchem.data.converters.diversity_set
skchem.data.converters.muller_ames
skchem.data.converters.nmrshiftdb2
skchem.data.converters.physprop
skchem.data.converters.tox21
skchem.data.datasets.base
skchem.data.datasets.bradley_open_mp
skchem.data.datasets.bursi_ames
skchem.data.datasets.diversity_set
skchem.data.datasets.muller_ames
skchem.data.datasets.nmrshiftdb2
skchem.data.datasets.physprop
skchem.data.datasets.tox21
skchem.data.downloaders.base
skchem.data.downloaders.bradley_open_mp
skchem.data.downloaders.bursi_ames
skchem.data.downloaders.diversity
skchem.data.downloaders.muller_ames
skchem.data.downloaders.nmrshiftdb2
skchem.data.downloaders.physprop
skchem.data.downloaders.tox21
skchem.descriptors.atom
skchem.descriptors.chemaxon
skchem.descriptors.fingerprints
skchem.descriptors.moe
skchem.descriptors.physicochemical
skchem.filters.base
skchem.filters.simple
skchem.filters.smarts
skchem.filters.stereo
skchem.forcefields.base
skchem.forcefields.mmff
skchem.forcefields.uff
skchem.interact.desc_vis
skchem.io.sdf
skchem.io.smiles
skchem.metrics
skchem.pandas_ext.structure_methods
skchem.pipeline.pipeline
skchem.resource
skchem.standardizers.chemaxon
skchem.test
skchem.test.test_cross_validation.test_similarity_threshold
skchem.test.test_data.test_data
skchem.test.test_featurizers
skchem.test.test_filters.test_filters
skchem.test.test_io.test_sdf
skchem.test.test_io.test_smiles
skchem.test.test_standardizers.test_chemaxon
skchem.utils.decorators
skchem.utils.helpers
skchem.utils.io
skchem.utils.progress
skchem.utils.string
skchem.utils.suppress
skchem.vis.atom
skchem.vis.mol