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Agens molfeat

skill_id: molfeat

install
source · Clone the upstream repo
git clone https://github.com/Gyoungwe/agens
manifest: skills/molfeat/skill.yaml
source content

skill_id: molfeat name: molfeat description: Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML. version: 1.0.0 author: K-Dense Inc. license: Apache-2.0 license tags:

  • scientific-agent-skills
  • molfeat tools: [] permissions: network: false filesystem: false shell: false agents:
  • bio_code_agent enabled: true source: scientific-agent-skills entrypoint: entry.py readme: README.md input_schema: {} output_schema: type: object metadata: upstream_repo: K-Dense-AI/scientific-agent-skills upstream_skill: molfeat upstream_path: scientific-skills/molfeat/SKILL.md upstream_frontmatter: name: molfeat description: Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML. license: Apache-2.0 license metadata: skill-author: K-Dense Inc.