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.
npx skills add K-Dense-AI/drug-discovery-agent-skills --skill deepchemgit clone --depth 1 https://github.com/K-Dense-AI/drug-discovery-agent-skillsWrote 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.
[](https://agentmods.dev/skills/k-dense-ai/drug-discovery-agent-skills/deepchem)<a href="https://agentmods.dev/skills/k-dense-ai/drug-discovery-agent-skills/deepchem"><img src="https://agentmods.dev/badge/skills/k-dense-ai/drug-discovery-agent-skills/deepchem/github.svg" alt="Measured on agentmods" height="20"></a>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.
<a href="https://agentmods.dev/skills/k-dense-ai/drug-discovery-agent-skills/deepchem"><img src="https://agentmods.dev/badge/skills/k-dense-ai/drug-discovery-agent-skills/deepchem.svg" alt="Reviewed on agentmods" width="80" height="20"></a>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.
| Model | Per session | Once invoked |
|---|---|---|
| Fable 5.1 | $0.00089 | $0.02756 |
| Opus 5 | $0.00044 | $0.01378 |
| Sonnet 5 | $0.00018 | $0.00551 |
| Haiku 4.5 | $0.00009 | $0.00276 |
Grade A, and why
deepchem 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 12d 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.
This is a copy
86% identical to deepchem — 50 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.
How it starts
The opening of the file, as written. The whole thing — 270 lines — stays where its author put it; the contents beside it link to each section on GitHub.
DeepChem
Overview
DeepChem is a comprehensive Python library for applying machine learning to chemistry, materials science, and biology. Enable molecular property prediction, drug discovery, materials design, and biomolecule analysis through specialized neural networks, molecular featurization methods, and pretrained models.
Checked against: deepchem 2.8.0 (PyPI stable, released 2024-04-02; still the current
release as of August 2026). Requires Python 3.7–3.11 (<3.12 on PyPI). Core utilities (loaders, featurizers, MoleculeNet) work without a DL backend; GNN and transformer models need the matching extra (torch, tensorflow, or jax). Install the backend framework first when using GPU builds.
The release you install is much older than the code you will read about. The GitHub
repository is actively developed, but 2.8.0 (April 2024) is still the newest tagged release, so
pip install deepchem gives you code roughly two years behind master while the online docs and
tutorials describe master. If an API in the documentation does not exist in your install, that
gap is the reason. Either pin to 2.8.0 and use the 2.8.0 docs, or install from git
(pip install git+https://github.com/deepchem/deepchem.git) and accept an untagged build.
When to Use This Skill
This skill should be used when:
- Loading and processing molecular data (SMILES strings, SDF files, protein sequences)
- Predicting molecular properties (solubility, toxicity, binding affinity, ADMET properties)
- Training models on chemical/biological datasets
- Using MoleculeNet benchmark datasets (Tox21, BBBP, Delaney, etc.)
- Converting molecules to ML-ready features (fingerprints, graph representations, descriptors)
- Implementing graph neural networks for molecules (GCN, GAT, MPNN, AttentiveFP)
- Applying transfer learning with pretrained models (ChemBERTa, GROVER, MolFormer)
- Predicting crystal/materials properties (bandgap, formation energy)
- Analyzing protein or DNA sequences
What ships with it
7 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.
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.
- 12d ago First seen · 270 lines · 89 tokens per session scan A 7150f6106a21
deepchem is a skill published in the GitHub repository K-Dense-AI/drug-discovery-agent-skills (28 stars, last pushed 5d ago), licensed MIT. It adds 89 tokens to every session and 2,756 once invoked, about $0.0004 per session on Opus 5. A static security scan graded it A with 0 findings. It is 86% identical to deepchem, differing in 50 lines, and is treated as a copy.
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