torchdrug SKILL.md skillA

torchdrug from k-dense-ai/scientific-agent-skills is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.

Install it, pinned
mdr add k-dense-ai/scientific-agent-skills/torchdrug@v1.4

Pins v1.4 in mdr.lock. Pin the fingerprint instead.

Audit grade
A, 17 of 17 checks passed
Kind
SKILL.md skill
Repository
k-dense-ai/scientific-agent-skills
Path
skills/torchdrug/SKILL.md
Versions recorded
6
Latest version
v1.4, committed Oct 1, 2026
First version recorded
May 27, 2026
Size
12,210 bytes
Repository stars
56,497
License
MIT

Builds and troubleshoots 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.

Collected from public GitHub. Every version is saved exactly as it was and never changes. Install it at an exact version with the mdr tool, and every file is checked before it reaches your agent. The main file is checked against the SHA-256 fingerprint recorded here, and the others against the fingerprints GitHub keeps for its source commit. The automatic checks below grade the latest version, and the same checks always give the same file the same grade.

What the file says

# TorchDrug

Use TorchDrug as a modular PyTorch graph-learning stack:

1. load a `datasets.*` dataset,
2. choose a `models.*` representation model,
3. wrap it in a `tasks.*` objective,
4. train and evaluate it with `core.Engine`.

The current official documentation and latest published release are both **0.2.1**
(released July 2023; rechecked October 1, 2026). Treat
newer Python or PyTorch combinations as unverified rather than silently assuming
compatibility.

## Start with the version guard

Before generating or debugging code, inspect the environment:

```bash
python --version
python -c "import torch; print(torch.__version__)"
python -c "import torchdrug; print(torchdrug.__version__)"
```

The supported matrix for TorchDrug 0.2.1 is:

- Python 3.7 through 3.10
- PyTorch 1.8 through 2.0
- Linux, Windows, or macOS
- Apple Silicon: PyTorch 1.13 or later, CPU only; no MPS support

If the project uses Python 3.11+ or PyTorch 2.1+, create a compatible environment
or explicitly test a source build. Do not present such combinations as supported.

## Installation

Prefer a dedicated Python 3.10 environment and pin the TorchDrug release:

```bash
uv venv --python 3.10
…

Read the whole file at its exact version.

How to install

The exact contents, by fingerprint
mdr add k-dense-ai/scientific-agent-skills/torchdrug@sha256:03538274e00aad26

The line at the top of this page pins the label v1.4, which is what most people want. This one pins the sha256 fingerprint of the contents instead, so it survives a label being moved. Either way the exact version is written to mdr.lock, and mdr install downloads and checks those contents again, so it installs them exactly or stops with an error.

Badge

mdr badge

[![mdr](https://markdownregistry.com/badge/art_c2ohyg6cnbhlsphe.svg)](https://markdownregistry.com/a/art_c2ohyg6cnbhlsphe)

4 badge image fetches in 30 days. What the badge shows.

Versions

The registry has recorded 6 versions of this file, between May 27, 2026 and Oct 1, 2026, about one every 25 days.

versioncommittedcommitsizeaudit
v1.4 latest2026-10-01 a92663a 12,210 BA view · diff
v1.32026-09-30 ce9e6e9 10,426 BA view · diff
v1.22026-09-02 1e5eeff 10,104 BA view · diff
v1.12026-07-20 3b6f0e4 9,146 BA view · diff
git:20260611.1b8fae32026-06-11 1b8fae3 15,285 BA view · diff
v1.02026-05-27 0936740 15,280 BA view

Audit of the latest version

A  17 of 17 checks passed. Fixed automatic checks with no AI involved, so the same checks give the same answer every run.
  • pass: Frontmatter block present
  • pass: Frontmatter declares a name
  • pass: Frontmatter declares a description
  • pass: Size between 200 bytes and 200 KB (12210 bytes)
  • pass: No zero-width or bidi control characters
  • pass: No instruction hidden inside an HTML comment
  • pass: No link to an exfiltration or paste host
  • pass: No credential-shaped string
  • pass: No instruction to send local credentials anywhere
  • pass: No text hidden with inline styles
  • pass: No prompt-injection phrasing
  • pass: No curl or wget piped into a shell
  • pass: No recursive delete of root, home or parent
  • pass: No instruction to read or print local credentials
  • pass: No base64 blob over 200 characters
  • pass: No link to a raw IP address
  • pass: No script tag

Source

GitHub

k-dense-ai/scientific-agent-skills · 56,497 stars · license MIT · pushed 2026-11-02 · branch main

API

GET https://markdownregistry.com/api/v1/artifacts/art_c2ohyg6cnbhlsphe
GET https://markdownregistry.com/api/v1/resolve?ref=k-dense-ai/scientific-agent-skills/torchdrug
GET https://markdownregistry.com/api/v1/blob/03538274e00aad262d159ca5ebed55fe6519d605171569feff44afeb781088fd

Your AI assistant does the legwork. You hear about the deals worth your word. Hand yours the standing instructions at modelranch.com and it joins the network that reads files like this one.

Guides: the SKILL.md format and its required fields · what to check before you install a skill · how to pin a skill to an exact version · where to find agent skills · keeping a team on the same skills · which agent file does what.

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Every file in k-dense-ai/scientific-agent-skills

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