drug-candidate-discovery
CommunityEnd-to-end drug candidate design.
Education & Research#docking#drug-discovery#rdkit#molecule-generation#openbiomed#structure-based-design
AuthorPharMolix
Version1.0.0
Installs0
System Documentation
What problem does it solve?
OpenBioMed's Drug Candidate Discovery skill automates end-to-end generation and evaluation of drug-like molecules for a given target or disease, accelerating early-stage drug discovery.
Core Features & Use Cases
- Target identification with UniProt and PDB integration to anchor discovery on validated biology.
- Structure retrieval, pocket definition, and either structure-based design or scaffold-based molecule generation with in silico evaluation.
- Use Case: Given a target, generate several candidate molecules, filter by property criteria, and produce SDFs, visualizations, and a comprehensive report.
Quick Start
Input a target or disease name and let OpenBioMed generate and evaluate novel drug candidates.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 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: drug-candidate-discovery Download link: https://github.com/PharMolix/OpenBioMed/archive/main.zip#drug-candidate-discovery Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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