kinoml

KinoML is a structure-informed machine learning library with a focus on kinase modeling

Subpackages

• kinoml.analysis
  • kinoml.analysis.metrics
  • kinoml.analysis.plots
• kinoml.core
  • kinoml.core.components
  • kinoml.core.conditions
  • kinoml.core.ligands
  • kinoml.core.measurements
  • kinoml.core.proteins
  • kinoml.core.sequences
  • kinoml.core.systems
• kinoml.databases
  • kinoml.databases.klifs
  • kinoml.databases.pdb
  • kinoml.databases.uniprot
• kinoml.datasets
  • kinoml.datasets.chembl
  • kinoml.datasets.core
  • kinoml.datasets.groups
  • kinoml.datasets.pkis2
  • kinoml.datasets.torch_datasets
  • kinoml.datasets.torch_geometric_datasets
• kinoml.docking
  • kinoml.docking.OEDocking
  • kinoml.docking.SCHRODINGERDocking
• kinoml.features
  • kinoml.features.complexes
  • kinoml.features.core
  • kinoml.features.ligand
  • kinoml.features.protein
• kinoml.ml
  • kinoml.ml.lightning_modules
  • kinoml.ml.tensorflow_models
  • kinoml.ml.torch_geometric_models
  • kinoml.ml.torch_loops
  • kinoml.ml.torch_models
  • kinoml.ml.torch_trees
• kinoml.modeling
  • kinoml.modeling.MDAnalysisModeling
  • kinoml.modeling.OEModeling
  • kinoml.modeling.SCHRODINGERModeling
  • kinoml.modeling.alignment
• kinoml.optimize
• kinoml.workflows

Submodules

• kinoml._version
• kinoml.utils

Package Contents

kinoml.get_versions()

Get version information or return default if unable to do so.

kinoml.versions

kinoml.__version__

kinoml.__git_revision__