> ## Documentation Index
> Fetch the complete documentation index at: https://kalarislabs.com/llms.txt
> Use this file to discover all available pages before exploring further.

# torchdrug — AI agent skill for chemistry and drug discovery

> Build and troubleshoot TorchDrug 0.2.1 workflows for molecular graphs, property prediction, self-supervised pretraining, molecule generation, retrosynthes…

# `torchdrug`

> Build and troubleshoot TorchDrug 0.2.1 workflows for molecular graphs, property prediction, self-supervised pretraining, molecule generation, retrosynthesis, protein representation learning, and knowledge graph reasoning. Use when code imports torchdrug or needs its datasets, models, tasks, or Engine.

**Category:** [chemistry-and-drug-discovery](/skills#chemistry-and-drug-discovery) · **License:** Apache-2.0 license · **Version:** 1.2

## Install

```bash theme={null}
npx research-agent-skills install torchdrug
npx skills add KalarisLabs/research-agent-skills --skill torchdrug
```

## When to use it

Build and troubleshoot TorchDrug 0.2.1 workflows for molecular graphs, property prediction, self-supervised pretraining, molecule generation, retrosynthesis, protein representation learning, and knowledge graph reasoning. Use when code imports torchdrug or needs its datasets, models, tasks, or Engine.

## Full playbook

Read [SKILL.md](https://github.com/KalarisLabs/research-agent-skills/blob/main/skills/torchdrug/SKILL.md) for the complete workflow, references and any scripts. The agent installer copies the full skill folder.