torchdrug
CommunityGraph-based drug discovery with GNNs.
Data & Analytics#GNN#drug-discovery#retrosynthesis#Molecular-property#RDKit#protein-modeling#knowledge-graphs
Authorjackspace
Version1.0.0
Installs0
System Documentation
What problem does it solve?
TorchDrug provides a comprehensive PyTorch-based toolbox for drug discovery and molecular science, applying graph neural networks to molecules, proteins, and biological knowledge graphs.
Core Features & Use Cases
- Molecular property prediction, protein modeling, and knowledge-graph reasoning
- Molecular generation and retrosynthesis planning
- 40+ datasets and 20+ model architectures for flexible experimentation
Quick Start
Install via pip, load datasets, define models, and train end-to-end using standard PyTorch workflows.
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: torchdrug Download link: https://github.com/jackspace/ClaudeSkillz/archive/main.zip#torchdrug Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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