deepchem
✓Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.
Installation
SKILL.md
DeepChem is a comprehensive Python library for applying machine learning to chemistry, materials science, and biology. Enable molecular property prediction, drug discovery, materials design, and biomolecule analysis through specialized neural networks, molecular featurization methods, and pretrained models.
DeepChem provides specialized loaders for various chemical data formats:
Critical: For drug discovery tasks, use ScaffoldSplitter to prevent data leakage from similar molecular structures appearing in both training and test sets.
Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML. Source: jackspace/claudeskillz.
Facts (cite-ready)
Stable fields and commands for AI/search citations.
- Install command
npx skills add https://github.com/jackspace/claudeskillz --skill deepchem- Source
- jackspace/claudeskillz
- Category
- </>Dev Tools
- Verified
- ✓
- First Seen
- 2026-02-17
- Updated
- 2026-02-18
Quick answers
What is deepchem?
Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML. Source: jackspace/claudeskillz.
How do I install deepchem?
Open your terminal or command line tool (Terminal, iTerm, Windows Terminal, etc.) Copy and run this command: npx skills add https://github.com/jackspace/claudeskillz --skill deepchem Once installed, the skill will be automatically configured in your AI coding environment and ready to use in Claude Code or Cursor
Where is the source repository?
https://github.com/jackspace/claudeskillz
Details
- Category
- </>Dev Tools
- Source
- skills.sh
- First Seen
- 2026-02-17