deepmol
v0.0.6-beta

Contents:

  • Introduction
  • Installation
  • Load a dataset from a CSV file
  • Compound Standardization
  • Compound Featurization
  • Feature Selection
  • Unsupervised Learning
  • Data Split
  • Supervised Learning
  • Feature Importance
  • Unbalanced Datasets
  • About us
  • Related publications
  • src
deepmol
  • Overview: module code

All modules for which code is available

  • deepmol.compound_featurization.base_featurizer
  • deepmol.compound_featurization.deepchem_featurizers
  • deepmol.compound_featurization.mixed_descriptors
  • deepmol.compound_featurization.mol2vec
  • deepmol.compound_featurization.rdkit_descriptors
  • deepmol.compound_featurization.rdkit_fingerprints
  • deepmol.datasets.datasets
  • deepmol.evaluator.evaluator
  • deepmol.feature_importance.shap_values
  • deepmol.feature_selection.base_feature_selector
  • deepmol.imbalanced_learn.imbalanced_learn
  • deepmol.loaders.loaders
  • deepmol.loggers.logger
  • deepmol.metrics.metrics
  • deepmol.metrics.metrics_functions
  • deepmol.models.base_models
  • deepmol.models.deepchem_models
  • deepmol.models.ensembles
  • deepmol.models.keras_models
  • deepmol.models.models
  • deepmol.models.sklearn_models
  • deepmol.parallelism.multiprocessing
  • deepmol.parameter_optimization.deepchem_hyperparameter_optimization
  • deepmol.parameter_optimization.hyperparameter_optimization
  • deepmol.scalers.base_scaler
  • deepmol.scalers.sklearn_scalers
  • deepmol.splitters.splitters
  • deepmol.standardizer.basic_standardizer
  • deepmol.standardizer.chembl_standardizer
  • deepmol.standardizer.custom_standardizer
  • deepmol.standardizer.molecular_standardizer
  • deepmol.unsupervised.base_unsupervised
  • deepmol.unsupervised.umap
  • deepmol.utils.errors
  • deepmol.utils.utils

© Copyright 2023, João Correia and João Capela. Revision e2c14cde.

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