Scientific Agent Skills is a collection of reusable procedures that give AI agents capabilities for scientific research across areas such as biology, chemistry, medicine, and drug discovery. It is used by researchers and by people building AI scientist workflows with compatible coding agents. The catalogue contains many of the project's skills and supporting instructions.
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/scientific-agent-skills --skill deepchemgit clone --depth 1 https://github.com/K-Dense-AI/scientific-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/scientific-agent-skills/deepchem)<a href="https://agentmods.dev/skills/k-dense-ai/scientific-agent-skills/deepchem"><img src="https://agentmods.dev/badge/skills/k-dense-ai/scientific-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/scientific-agent-skills/deepchem"><img src="https://agentmods.dev/badge/skills/k-dense-ai/scientific-agent-skills/deepchem.svg" alt="Reviewed on agentmods" width="80" height="20"></a>- Socket pass
- Snyk warn
- NVIDIA SkillSpector pass
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 | $0.00078 | $0.02572 |
| Opus 5 | $0.00039 | $0.01286 |
| Sonnet 5 | $0.00016 | $0.00514 |
| Haiku 4.5 | $0.00008 | $0.00257 |
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 8d 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.
Copies of this mod
1 near-identical copy found in the catalogue:
- deepchem — 86% identical, 50 lines differ
How it starts
The opening of the file, as written. The whole thing — 262 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.
Version note: Examples target deepchem 2.8.0 (PyPI stable, Apr 2024). 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.
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
Core Capabilities
Eight capability areas, each with worked code, are in references/core_capabilities.md:
- Molecular data loading and processing — loaders,
NumpyDataset/DiskDataset. - Molecular featurization — circular fingerprints, graph convolution, and descriptors.
- Data splitting — random, scaffold, stratified, and butina splitters, and why scaffold splitting is the honest default for molecules.
- Model selection and training — the model families and how to fit them.
- MoleculeNet benchmarks — loading standard datasets and their published splits.
- Transfer learning — pretraining and fine-tuning.
- Model evaluation — metrics appropriate to regression and classification tasks.
- Making predictions — applying a trained model to new molecules.
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.
- 8d ago Changed · +17 lines 2314814f2f3e
- 11d ago First seen · 245 lines · 78 tokens per session scan A e837aac241bd
deepchem is a skill published in the GitHub repository K-Dense-AI/scientific-agent-skills (44,220 stars, last pushed 4d ago), licensed MIT. It adds 78 tokens to every session and 2,572 once invoked, about $0.0004 per session on Opus 5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.
Other skills, from other repositories
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rdkit-qsar-pharmacophore
Computes 2048-bit ECFP4 Morgan fingerprints from SMILES, trains LightGBM regressors for pIC50 prediction, and extracts SHAP feature attributions.
discovery-director
Operate as a research director making original discoveries from a given biological question and dataset. Use when the task is open-ended scientific research, exploring omics or experimental data for findings, hypothesis generation and testing, screening a large candidate space of genes, variants, features or…
bulk-rnaseq-counts-to-de-deseq2
Run differential expression analysis on bulk RNA-seq count data with DESeq2 (R). Covers DESeqDataSet construction from a count matrix, tximport (Salmon/Kallisto), featureCounts, or SummarizedExperiment; pre-filtering; design formulas (simple, batch, paired, interaction, multi-factor, LRT); result extraction by…
seurat-skill
Comprehensive Seurat v5 (R) guide for single-cell RNA-seq and multimodal analysis. Covers installation, standard workflows (Normalize/SCTransform), clustering, integration (CCA/RPCA/Harmony), differential expression (FindMarkers/FindAllMarkers), visualization (DimPlot/FeaturePlot/VlnPlot/DoHeatmap), spatial…