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deepchem

Skill1 starsChanged 9 months agoNo licenceView on GitHub

Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featurization options and MoleculeNet benchmarks. Best for quick experiments with pre-trained models, diverse molecular representations. For graph-first PyTorch workflows use torchdrug; for benchmark datasets use pytdc.

  • Installs packages

We split this skill into the rules it gives an agent

13 rules. 9 are common, 2 are distinctive, and 2 are very specific to this project.

  • 9

    Common

    Most of the 9 edited versions we read keep these.

  • 2

    Distinctive

    This author's own choices. Worth a look.

  • 2

    Very specific

    Tied to their project's names, files or tools. Probably skip.

No licence file, so all rights are reserved — read it at the source. We count its rules but don't quote them. Read them on GitHub.

“Common” is measured: kept by at least 6 in 10 of the 9 edited versions of this file we could read. “Very specific” is our guess from the words: it names a file, a command, a setting or the project itself.

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