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task-property-prediction

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Scindices / deepchem--deepchem

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Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

entity-graph status-active lang-python interface-cli method-deep-learning role-framework domain-cheminformatics method-chemoinformatics entity-small-molecule interface-api status-published status-packaged-pypi status-packaged-conda domain-drug-discovery method-machine-learning scope-swissknife task-featurization task-molecular-generation domain-computational-chemistry task-property-prediction
  • Updated Jul 20, 2026
  • Python

Scindices / materialsproject--pymatgen

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Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

status-active lang-python interface-cli task-file-io task-structure-analysis method-chemoinformatics entity-small-molecule interface-api status-published status-packaged-pypi status-packaged-conda method-physics role-toolkit scope-swissknife entity-crystal domain-computational-chemistry task-property-prediction domain-materials
  • Updated Jul 29, 2026
  • Python

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