| name | kdense-datamol |
| description | Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly. |
Kdense Datamol
Use this Codex adapter for the pinned upstream scientific skill.
Catalog status
- Status:
inactive
- Source:
kdense
- Audit reasons:
credentials-required
- Upstream license:
Apache-2.0 license
- Inventory:
../../inventory.json
- Upstream instructions:
../../../vendor/scientific-agent-skills/skills/datamol/SKILL.md
Procedure
- Resolve the plugin root as three directories above this skill directory.
- Read the matching inventory record and verify its status, reasons, source path, and pinned revision.
- Do not read the upstream instructions until the user has seen every audit reason and given explicit acknowledgement. Acknowledgement permits instruction inspection only.
- Treat upstream frontmatter as source metadata, not as Codex configuration. Follow the instruction body only where it is compatible with available Codex tools and the current user-approved plan.
- Treat tools named for another agent runtime as capability requests. Map them to an available Codex tool only when the behavior is equivalent; otherwise report the unavailable capability.
- Ask before credentials, package installation, new network hosts, remote compute, writes, paid services, destructive actions, or imported executable code.
- Use
$science-provenance for produced scientific outputs and $science-review before presenting scientific claims.
Progressive loading
The upstream SKILL.md is 723 lines. Inspect its headings first, then
read only the sections relevant to the current request. Load linked references only when
the selected workflow requires them; do not load the entire upstream tree by default.
Boundaries
- This wrapper does not grant credentials, network access, package installation, or script execution.
- Do not change an inactive record to active from inside a research task.
- Preserve failures, uncertainty, source identifiers, and licensing constraints.
