1. Conduid
  2. Files
  3. Smiles2iupac
MCP server · Files

Smiles2iupac

· github.com/gvmfhy/smiles2iupac

Free, open-source SMILES → IUPAC name converter. PubChem-keyed lookup with OPSIN round-trip cross-validation. CLI, Python lib, Gradio web app, MCP server.

Unclaimed cheminformaticschemistryfastapigradioiupaciupac-nomenclaturemcp-servermodel-context-protocolopsinpubchemrdkitsmiles
InstallView source
34Low

Scored a month ago · breakdown

About Smiles2iupac

Smiles2iupac is an MCP server in the Files category: free, open-source SMILES → IUPAC name converter. PubChem-keyed lookup with OPSIN round-trip cross-validation. CLI, Python lib, Gradio web app, MCP server.

Install

From source
git clone https://github.com/gvmfhy/smiles2iupac

This server has no ConduID identity, so agent calls to it are not receipted. Pin the version you install and review the source before granting it credentials.

Tools (4)

classify_smilesPre-flight check: is it a salt? mixture? reaction? Returns parent + counter-ions

Parameters not published.

enrich_smilesPure-RDKit metadata: InChI / InChIKey / formula / MW / SVG. No network.

Parameters not published.

iupac_to_smilesReverse lookup. OPSIN first (offline, stereo-aware) → PubChem fallback (common names)

Parameters not published.

smiles_to_iupacForward conversion. Returns name + confidence + source + InChIKey + reasoning trace + PubChem verify URL

Parameters not published.

Ask AI

✦

Ask AI about Smiles2iupac

Powered by Claude · Grounded in docs

I know everything about Smiles2iupac. Ask me about installation, configuration, usage, or troubleshooting.

Security checks

6 checks have not been run yet.

Questions

About Smiles2iupac

How do I install Smiles2iupac?

No package has been published for this server, so install it from source: clone the repository and follow its README.

Is Smiles2iupac safe to use with an AI agent?

Its trust score is 34 out of 100 (low). Conduid hasn't run static security checks on this repository yet, so review the source yourself before granting it credentials. It has no ConduID identity yet, so agent calls to it are not receipted.

Is Smiles2iupac still maintained?

Conduid hasn't recorded a commit date for this repository yet. Check the repository directly for recent activity.