torchdrug

torchdrug is a skill for Claude Code from agentlas-ai/agentlas-desktop. It costs 61 tokens per session (2,493 once invoked), scanned A, a copy of torchdrug, Apache-2.0.

A guide to TorchDrug, a PyTorch toolkit for machine learning on molecules, proteins, and knowledge graphs. PyTorch is a Python framework for training neural networks.

In plain words
What is it for?
Predict molecular properties, generate molecules, perform retrosynthesis, learn protein representations, and reason over biological knowledge graphs.
Why use it?
It provides connected pieces for loading scientific datasets, choosing models, defining training tasks, and evaluating results, with version limits that help avoid incompatible setups.

Skill for Claude Code

Written for Claude Code: allowed-tools in frontmatter.

Good fit Predict molecular properties, generate molecules, perform retrosynthesis, learn protein representations, and reason over biological knowledge graphs.

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Install with agentmods
npx agentmods add skills/agentlas-ai/agentlas-desktop/torchdrug
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add agentlas-ai/agentlas-desktop --skill torchdrug
Clone the repo
git clone --depth 1 https://github.com/agentlas-ai/agentlas-desktop

Made for: Claude Code.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for torchdrug

README.md
[![agentmods](https://agentmods.dev/badge/skills/agentlas-ai/agentlas-desktop/torchdrug/github.svg)](https://agentmods.dev/skills/agentlas-ai/agentlas-desktop/torchdrug)
Your own site
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Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for torchdrug

Your own site · 80×15
<a href="https://agentmods.dev/skills/agentlas-ai/agentlas-desktop/torchdrug"><img src="https://agentmods.dev/badge/skills/agentlas-ai/agentlas-desktop/torchdrug.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 61 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 2,493 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
Origin 100% copy Near-identical to another mod in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00061 $0.02493
Opus 5.5 $0.00024 $0.00997
Sonnet 5.5 $0.00012 $0.00499
Haiku 4.5 $0.00006 $0.00249

Measured 1mo ago against content hash 6e03c6bb0645, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

torchdrug scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 1mo ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

Origin

This is a copy

100% identical to torchdrug — 57 lines differ, which has more behind it and is treated as the original. This page carries a canonical link to it rather than competing with it.

plugins/agentlas-science-skills/skills/torchdrug/SKILL.md · 259 lines

How it starts

The opening of the file, as written. The whole thing — 259 lines — stays where its author put it; the contents beside it link to each section on GitHub.

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 release are both 0.2.1. 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:

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:

uv venv --python 3.10
source .venv/bin/activate
uv pip install "torch==2.0.0"

Install torch-scatter and torch-cluster wheels matched to the exact PyTorch and CUDA pair, following the official installation page. For a CPU-only PyTorch 2.0 environment, one reproducible wheel combination is:

uv pip install "torch-scatter==2.1.1" "torch-cluster==1.6.1" \
  --find-links "https://data.pyg.org/whl/torch-2.0.0+cpu.html"
uv pip install "torchdrug==0.2.1"

Do not copy a CUDA wheel URL between environments. Match the PyTorch version, CUDA build, Python ABI, and platform. On Apple Silicon, the official docs require building torch-scatter and torch-cluster from source; pin reviewed source revisions and expect CPU execution.

Canonical property-prediction workflow

Use the documented ClinTox → GIN → PropertyPrediction → Engine pattern:

Read the full file on GitHub · 259 lines

Files

What ships with it

8 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 1mo ago First seen · 259 lines · 61 tokens per session scan A 6e03c6bb0645

Subscribe to this mod's changes

torchdrug is a skill published in the GitHub repository agentlas-ai/agentlas-desktop (6 stars, last pushed yesterday), licensed Apache-2.0. It adds 61 tokens to every session and 2,493 once invoked, about $0.0002 per session on Opus 5.5. A static security scan graded it A with 0 findings. It is 100% identical to torchdrug, differing in 57 lines, and is treated as a copy.

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