deepchem SKILL.md skillA
deepchem 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.
mdr add k-dense-ai/scientific-agent-skills/deepchem@v2.0Pins v2.0 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/deepchem/SKILL.md- Versions recorded
- 7
- Latest version
- v2.0, committed Oct 1, 2026
- First version recorded
- Jun 11, 2026
- Size
- 8,967 bytes
- Repository stars
- 53,159
- License
- MIT
Builds molecular property prediction and MoleculeNet workflows with DeepChem, including SMILES featurization, scaffold or grouped holdouts, masked labels, graph models and explicit pretrained encoder transfer. Used for ADMET, toxicity, solubility and chemistry ML when DeepChem data/model contracts and scientific validation are needed.
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
# DeepChem ## When to use Use for molecular property prediction, SMILES/graph featurization, MoleculeNet benchmarks and explicitly configured encoder transfer. The workflow also covers DeepChem materials and sequence adapters when their data/model contracts are met. Targets **DeepChem 2.8.0**, still the stable PyPI release at review. Nightly 2.8.1 builds have additional APIs and different constraints; do not mix `latest` docs with a stable installation. The tested CPU stack and optional-backend limitations are in [references/review.md](references/review.md). ## Workflow 1. Define compound identity, assay conditions, target units and missing labels. Parse SMILES and retain a record of rejected rows. Audit duplicate structures and repeated measurements before splitting. 2. Match the representation to the model using the table below. Fit a numeric baseline first; dataset size alone does not select the best architecture. 3. Choose a scaffold, temporal or grouped holdout for the deployment question. Preserve exact split IDs, inspect scaffold overlap and per-task class support, and reject empty splits. Scaffold splitting does not eliminate all leakage. …
Read the whole file at its exact version.
How to install
mdr add k-dense-ai/scientific-agent-skills/deepchem@sha256:2965735ee473cf70The line at the top of this page pins the label v2.0, 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.
[](https://markdownregistry.com/a/art_7hxo24k7smj7oeoq)
4 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 7 versions of this file, between Jun 11, 2026 and Oct 1, 2026, about one every 19 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| v2.0 latest | 2026-10-01 | a92663a | 8,967 B | A | view · diff |
| v1.6 | 2026-09-30 | ce9e6e9 | 11,681 B | A | view · diff |
| v1.5 | 2026-09-02 | 1e5eeff | 10,754 B | A | view · diff |
| v1.4 | 2026-07-28 | 4fb7e0b | 9,796 B | A | view · diff |
| v1.2 | 2026-07-26 | 2f2022d | 9,796 B | A | view · diff |
| v1.1 | 2026-07-26 | b085e11 | 19,498 B | A | view · diff |
| git:20260611.1b8fae3 | 2026-06-11 | 1b8fae3 | 19,503 B | A | view |
Audit of the latest version
- pass: Frontmatter block present
- pass: Frontmatter declares a name
- pass: Frontmatter declares a description
- pass: Size between 200 bytes and 200 KB (8967 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
k-dense-ai/scientific-agent-skills · 53,159 stars · license MIT · pushed 2026-10-19 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_7hxo24k7smj7oeoq GET https://markdownregistry.com/api/v1/resolve?ref=k-dense-ai/scientific-agent-skills/deepchem GET https://markdownregistry.com/api/v1/blob/2965735ee473cf70d63c6170f1c8867bd533539809d4535c162acacc07d0b17d
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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