Real Skill packageSource verifiedClawHub registry

classical-ml-drug-discovery

Build defensible molecular ML for drug discovery — QSAR, virtual screening, ADMET, toxicity, binding affinity, drug-target models — with Random Forest, SVM/SVR, and Gradient Boosting, plus dataset analysis, inductive conformal prediction, multi-model consensus, diversity-aware batch selection, and cheminformatics-aware interpretation. Use for curating bioactivity data, comparing RF/SVM/XGBoost, leakage-resistant validation, library screening, calibrated uncertainty, disagreeing-model reconciliation, diverse assay-…

Identity and source

Publisher attributionorionshaowswmwregistry owner unverified by skillvetai
Functional categoryData, Spreadsheets & Analyticsautomatically inferred · 54% rule confidence
Package forminstruction with code17 recorded files
Canonical sourceClawHub registryclawhub:orionshaowswmw:classical-ml-drug-discovery
Open canonical source ↗

Platform declarations

These states come from the source or distribution context. None of the entries below are SkillVetAI compatibility test results.

OpenClawnative officialProvenance: registry distribution

Independent structural checks

These checks parse the fixed package against dated platform rules. They do not execute the Skill or verify task behavior.

Claude Codepasses structure
Checker 0.1.0 · agent-skills-2026-08-13+claude-code-docs-2026-08-13 · 8/25/2026.claude/skills/classical-ml-drug-discovery

Runtime, accounts, dependencies, permissions, network behavior and task quality remain untested.

OpenAI Codexpasses structure
Checker 0.1.0 · agent-skills-2026-08-13+codex-docs-2026-08-13 · 8/25/2026.agents/skills/classical-ml-drug-discovery

Runtime, accounts, dependencies, permissions, network behavior and task quality remain untested.

OpenClawpasses structure
Checker 0.1.0 · agent-skills-2026-08-13+openclaw-docs-2026-08-13 · 8/25/2026skills/classical-ml-drug-discovery

Runtime, accounts, dependencies, permissions, network behavior and task quality remain untested.

Installation and inspection

This command is recorded from the source ecosystem and resolves the registry's latest release. The fixed release shown on this page should be inspected before adoption.

clawhub install @orionshaowswmw/classical-ml-drug-discovery
clawhub inspect @orionshaowswmw/classical-ml-drug-discovery --version 1.3.2

Security evidence

SkillVetAI static result: no findings detected

This automated, non-executing scan is bound to this release hash. It is not a safety certification and may contain false positives or false negatives.

Status
completed
Coverage
full text content
Files
16 / 17 inspected as text
Checked
8/25/2026, 1:54:37 AM
Scanner
0.1.3
Policy
1.0.3
4 inferred permission indicators
  • shell execution — automatically inferred
  • network access — automatically inferred
  • filesystem read — automatically inferred
  • filesystem write — automatically inferred
34 dependency and API indicators
  • pypi: numpy >=1.24,<3
  • pypi: pandas >=2.0,<3
  • pypi: scikit-learn >=1.4,<2
  • pypi: joblib >=1.3,<2
  • pypi: rdkit >=2023.9.1
  • pypi: xgboost >=2.0,<4
  • api: academic.oup.com
  • api: ai-druglab.smu.edu
  • api: arxiv.org
  • api: catboost.ai
  • api: clawhub.ai
  • api: comptox.epa.gov
  • api: deepchem.readthedocs.io
  • api: doi.org
  • api: ersilia.io
  • api: github.com
  • api: hachmannlab.github.io
  • api: jcheminf.biomedcentral.com
  • api: link.springer.com
  • api: ochem.eu
  • api: pmc.ncbi.nlm.nih.gov
  • api: pubchem.ncbi.nlm.nih.gov
  • api: pubs.acs.org
  • api: qsar.syedzayyan.com
  • api: scikit-learn.org
  • api: tdcommons.ai
  • api: www.apache.org
  • api: www.bindingdb.org
  • api: www.ebi.ac.uk
  • api: www.knime.com
  • api: www.nature.com
  • api: www.oecd.org
  • api: www.rdkit.org
  • api: zitniklab.hms.harvard.edu
External clawhub result: clean

This is registry-supplied evidence for the recorded release, not an independent SkillVetAI scan. Check the canonical source for the full report, scanner versions, scope, and current moderation state.

Evidence checked
8/24/2026, 8:59:32 PM
Release binding
Matches this record
  • vt: clean
  • skillspector: suspicious
  • llm: clean

Recorded files

The catalog stores hashes and an inventory summary for change detection. It does not republish the package contents.

Package content hashsha256:e7d1d7a35e8791ebeb52ef4655ab10ae35d5d066131ead649ef10ef527593a9e
Show up to 17 recorded paths
  • _meta.json
  • CHECKSUMS.sha256
  • LICENSE
  • README.md
  • references/ALGORITHM_GUIDE.md
  • references/OPEN_SOURCE_TOOLS.md
  • references/RESEARCH_REPORT.md
  • references/VALIDATION_PROTOCOL.md
  • requirements-optional.txt
  • scripts/qsar_pipeline.py
  • scripts/verify_integrity.py
  • skill-card.md
  • SKILL.md
  • templates/DRUG_DISCOVERY_REPORT_TEMPLATE.md
  • templates/PROJECT_BRIEF.md
  • tests/test_advanced.py
  • tests/test_smoke.py

Source changelog

v1.3.2: token-efficiency optimization of SKILL.md (-40% per-execution tokens) and README (-73%); all 12 rules, decision tables, failure modes, and security behavior preserved.

Release security diff

mediumCompared fixed releases 1.0.4 and 1.3.2; 0 finding and 0 permission indicators were added.

Both fixed releases were scanned under the current scanner and policy, so finding, permission and dependency changes are available.

Change reasons and limitations
  • file surface changed
  • content hash changed

Observed release history

These older immutable releases were observed by prior successful syncs. They remain recorded when a newer release becomes current.

1.0.48/14/2026sha256:ad6ac8341ef400192fdc32b57abc4efcd2f3d4b6adda72d49b074077b7234ed2