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Update SKILL.md files to add double quotation marks for all skills, ensuring clarity and consistency across all entries.

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Haoxuan "Orion" Li
2025-10-20 20:51:50 -07:00
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scientific-packages/molfeat/SKILL.md
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---
name: molfeat
description: Comprehensive molecular featurization toolkit for converting chemical structures into numerical representations for machine learning. Use this skill when working with molecular data, SMILES strings, chemical fingerprints, molecular descriptors, or building QSAR/QSPR models. Provides access to 100+ featurizers including traditional fingerprints (ECFP, MACCS), molecular descriptors (RDKit, Mordred), and pretrained deep learning models (ChemBERTa, ChemGPT, GNN models) for cheminformatics and drug discovery tasks. Use molfeat for converting SMILES strings to machine learning features, molecular fingerprinting, chemical similarity analysis, virtual screening, QSAR model development, molecular property prediction, chemical space analysis, drug discovery pipelines, molecular machine learning, cheminformatics workflows, chemical data preprocessing, molecular representation learning, and any task requiring conversion of chemical structures to numerical features for computational analysis.
description: "Comprehensive molecular featurization toolkit for converting chemical structures into numerical representations for machine learning. Use this skill when working with molecular data, SMILES strings, chemical fingerprints, molecular descriptors, or building QSAR/QSPR models. Provides access to 100+ featurizers including traditional fingerprints (ECFP, MACCS), molecular descriptors (RDKit, Mordred), and pretrained deep learning models (ChemBERTa, ChemGPT, GNN models) for cheminformatics and drug discovery tasks. Use molfeat for converting SMILES strings to machine learning features, molecular fingerprinting, chemical similarity analysis, virtual screening, QSAR model development, molecular property prediction, chemical space analysis, drug discovery pipelines, molecular machine learning, cheminformatics workflows, chemical data preprocessing, molecular representation learning, and any task requiring conversion of chemical structures to numerical features for computational analysis."
---
# Molfeat - Molecular Featurization Hub