Agent Skills

SKILL.md packages that extend Claude Code, Cursor, Copilot, and other AI agents.

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ChEMBL Database Explorer

claude-code-templates

Query ChEMBL programmatically to retrieve bioactive molecule data, bioactivity measurements, targets, and perform similarity/substructure searches for drug disc

cheminformaticsbioinformaticsdrug-discovery

29,459

6 triggers

Fragmentation Spectrum Extraction

asb-skill-collections

Extract and deconvolve individual fragmentation spectra from composite mass spectrometry data for metabolomics and exposomics annotation.

mass-spectrometrymetabolomicsexposomics

6 triggers

LC Gradient Vector Encoding & Decoding

asb-skill-collections

Convert LC gradient parameters into normalized numerical vectors for Bayesian optimization and GP regression.

metabolomicslc-msbayesian-optimization

4 triggers