deepchem
Provides DeepChem integration for molecular property prediction, drug discovery, and materials science. Includes data loaders for SMILES/SDF files, multiple featurization methods (fingerprints, graphs, descriptors), and pre-built models for ADMET/toxicity prediction. Offers workflow examples for GNNs, transfer learning, and molecule generation.
Packaged view
This page reorganizes the original catalog entry around fit, installability, and workflow context first. The original raw source lives below.
Install command
npx @skill-hub/cli install k-dense-ai-claude-scientific-skills-deepchem
Repository
Skill path: scientific-skills/deepchem
Provides DeepChem integration for molecular property prediction, drug discovery, and materials science. Includes data loaders for SMILES/SDF files, multiple featurization methods (fingerprints, graphs, descriptors), and pre-built models for ADMET/toxicity prediction. Offers workflow examples for GNNs, transfer learning, and molecule generation.
Open repositoryBest for
Primary workflow: Research & Ops.
Technical facets: Data / AI, Full Stack, Integration.
Target audience: AI/ML teams looking for install-ready agent workflows..
License: Unknown.
Original source
Catalog source: SkillHub Club.
Repository owner: K-Dense-AI.
This is still a mirrored public skill entry. Review the repository before installing into production workflows.
What it helps with
- Install deepchem into Claude Code, Codex CLI, Gemini CLI, or OpenCode workflows
- Review https://github.com/K-Dense-AI/claude-scientific-skills before adding deepchem to shared team environments
- Use deepchem for ai/ml workflows
Works across
Favorites: 0.
Sub-skills: 0.
Aggregator: No.