lib-molfeat
OfficialMolecular featurization for ML
Education & Research#machine learning#deep learning#cheminformatics#fingerprints#descriptors#molecular featurization
Authorbiomaps-infra
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill simplifies the complex process of converting molecular structures into numerical features, enabling machine learning on chemical data.
Core Features & Use Cases
- 100+ Featurizers: Access a vast library of fingerprints, descriptors, and deep learning embeddings.
- ML-Ready Output: Generate features compatible with scikit-learn, PyTorch, and other ML frameworks.
- Use Case: Predict a molecule's properties (e.g., toxicity, solubility) by converting its SMILES string into a numerical vector and feeding it into a machine learning model.
Quick Start
Use the lib-molfeat skill to convert the SMILES string 'CCO' into ECFP features.
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-molfeat Download link: https://github.com/biomaps-infra/blender-opencode/archive/main.zip#lib-molfeat Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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