Search: rdkit
10 result(s) on page 1
rdkit
Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D genera...
quarantinedClawHub- Registry
- ClawHub
- Version
- 1.0.0
curl -s /v1/skills/community__axehub:ClawHub__ClawHub__rdkitrdkit
Indexed by skills.sh from davila7/claude-code-templates
quarantinedskills.sh- Registry
- skills.sh
- Version
- 1.0.5
- Author
- davila7
curl -s /v1/skills/community__axehub:skills.sh__skills.sh__rdkitChemistry_Query
Chemistry agent skill for PubChem API queries (compound info/properties, structures/SMILES/images, synthesis routes/references) + RDKit cheminformatics (SMIL...
quarantinedcheminformaticschemisrycompoundsClawHub- Registry
- ClawHub
- Version
- 1.0.0
curl -s /v1/skills/community__axehub:ClawHub__ClawHub__Chemistry_QuerySMILES-to-Docking_Virtual_Screening
Complete virtual screening workflow converting SMILES to 3D SDF, preparing ligands/receptors to PDBQT, running batch AutoDock Vina docking, ranking affinitie...
quarantineddrug-discoverymolecular-dockingrdkitClawHub- Registry
- ClawHub
- Category
- Autonomous Ai Agents· inferred
- Version
- 1.0.0
curl -s /v1/skills/community__axehub:ClawHub__ClawHub__SMILES-to-Docking_Virtual_Screeningrewardkit
Indexed by skills.sh from harbor-framework/harbor
quarantinedskills.sh- Registry
- skills.sh
- Version
- 1.0.0
- Author
- harbor-framework
curl -s /v1/skills/community__axehub:skills.sh__skills.sh__rewardkitPatSight-MolVision
PatSight MolVision molecular image recognition: calls Patent Extractor API on 1-N structure images, returns SMILES/SDF and compute properties by rdkit. First...
quarantinedClawHub- Registry
- ClawHub
- Version
- 1.0.0
curl -s /v1/skills/community__axehub:ClawHub__ClawHub__PatSight-MolVisionPharmaClaw_Chemistry_Query
Chemistry agent skill for PubChem API queries (compound info/properties, structures/SMILES/images, synthesis routes/references) + RDKit cheminformatics (SMIL...
quarantinedClawHub- Registry
- ClawHub
- Version
- 1.0.0
curl -s /v1/skills/community__axehub:ClawHub__ClawHub__PharmaClaw_Chemistry_QueryPharmaclaw_Alphafold_Agent
Compliant AlphaFold Agent for protein structure retrieval, ESMFold prediction, binding site detection, and RDKit ligand docking. Fetches public PDB/AlphaFold...
quarantinedClawHub- Registry
- ClawHub
- Version
- 1.0.0
curl -s /v1/skills/community__axehub:ClawHub__ClawHub__Pharmaclaw_Alphafold_AgentPharmaclaw_Chemistry_Query
Chemistry agent skill for PubChem API queries (compound info/properties, structures/SMILES/images, synthesis routes/references) + RDKit cheminformatics (SMIL...
quarantinedClawHub- Registry
- ClawHub
- Version
- 1.0.0
curl -s /v1/skills/community__axehub:ClawHub__ClawHub__Pharmaclaw_Chemistry_QueryPharmaclaw_Tox_Agent
Toxicology Agent for pharma drug safety profiling from SMILES. Computes RDKit ADMET descriptors (logP, TPSA, MW, HBD, HBA, rotatable bonds), Lipinski Rule of...
quarantinedClawHub- Registry
- ClawHub
- Version
- 1.0.0
curl -s /v1/skills/community__axehub:ClawHub__ClawHub__Pharmaclaw_Tox_Agent