lib-deepchem
OfficialAccelerate molecular ML with DeepChem.
Education & Research#drug discovery#cheminformatics#graph neural networks#deepchem#molecular machine learning#property prediction
Authorbiomaps-infra
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill empowers users to build and deploy machine learning models for chemistry, drug discovery, and materials science tasks, streamlining complex molecular analysis.
Core Features & Use Cases
- Molecular Data Handling: Load, featurize, and split diverse molecular datasets (SMILES, SDF, etc.).
- Model Training & Prediction: Train traditional ML, GNNs, and transfer learning models for property prediction.
- Use Case: Predict the ADMET properties of a new drug candidate by loading its SMILES string, featurizing it, and using a pre-trained model for rapid assessment.
Quick Start
Use the lib-deepchem skill to load the Tox21 dataset and train a GCN model.
Dependency Matrix
Required Modules
None requiredComponents
scriptsreferences
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: lib-deepchem Download link: https://github.com/biomaps-infra/blender-opencode/archive/main.zip#lib-deepchem Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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