Skill All skills & plugins / Scientific Agent Skills (K-Dense)
rdkit
Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.
- Type
- Skill by K-Dense Inc.
- Catalog
- Scientific Agent Skills (K-Dense)
- Source
- K-Dense-AI/scientific-agent-skills/skills/rdkit (11 files scanned)
- Install and details
- Agent Skills Index entry
- License
- BSD-3-Clause license (SKILL.md frontmatter)
- Signals
- Pre-approved shellBundled scripts
Pre-approved tools
Shell (any command). Tools listed in allowed-tools (or an agent's tools) can be used without a permission prompt while the skill is active, depending on your agent and settings.
| Kind | Tools |
|---|---|
| read/search | Read |
| write/edit files | WriteEdit |
| shell, any command | Bash |
Declared in rdkit/SKILL.md.
Hooks
No hooks.
MCP servers and apps
None.
Bundled code
4 code files (Python):
rdkit/scripts/similarity_search.pyrdkit/scripts/molecular_properties.pyrdkit/scripts/substructure_filter.pyrdkit/scripts/_common.py
Network calls
No HTTP or socket call pattern found in the code.
Starts other programs
No subprocess, exec or eval pattern found.
Credentials referenced
No key, token or secret environment variable found in code or MCP config.
Static scan of commit 5f2bc03 on 2026-10-27. Signals are patterns found in the files, not a verdict: a network call can be the whole point of a skill. Read the linked lines before you decide. How the scan works.