lib-torchdrug
OfficialBuild AI for drug discovery & molecular science.
Education & Research#drug discovery#cheminformatics#graph neural networks#molecular modeling#knowledge graphs#protein science
Authorbiomaps-infra
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill streamlines complex tasks in drug discovery and molecular science by providing a powerful, unified toolkit for building and deploying AI models.
Core Features & Use Cases
- Graph Neural Networks: Develop custom GNNs for molecular and protein data.
- Task-Specific Modules: Leverage pre-built tasks for property prediction, generation, and knowledge graph reasoning.
- Use Case: Predict the binding affinity of novel drug candidates to a target protein using graph neural networks trained on existing binding data.
Quick Start
Use the lib-torchdrug skill to train a GIN model for molecular property prediction on the BBBP dataset.
Dependency Matrix
Required Modules
None requiredComponents
references
💻 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-torchdrug Download link: https://github.com/biomaps-infra/blender-opencode/archive/main.zip#lib-torchdrug Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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