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k-dense-ai/drug-discovery-agent-skills

v1.3.0MIT

Agent Skills for small-molecule and protein therapeutics: target validation and human genetics, bioactivity and chemical space, generative design and retrosynthesis, docking, free energy and dynamics, ADMET and PK translation, protein, antibody, degrader and oligonucleotide design, and the clinical and regulatory record.

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skills

deepchem

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 ready-made ADMET numbers without training a model use admet-prediction; for benchmark datasets and task-aware splits use pytdc.

Version
1.6
License
MIT
Compatibility
Requires Python 3.7–3.11 (PyPI 2.8.0 caps at <3.12). Install PyTorch, TensorFlow, or JAX before the matching deepchem extra. RDKit is a core dependency.
Read SKILL.md at the source

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Pre-approved tools experimental

Experimental field. Support varies between clients, so this list is what the author declared, not what your client will enforce.

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