opsin

A virtual optogenetics laboratory

Bioclipse Cheminformatics Feature

Access online services of chemical identifiers from Python

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

Python library to transform a GCMS output file into a DFT input file.

ChemResolve: name or SMILES to verified structure, descriptors, and report (OPSIN vs PubChem InChIKey crosscheck).

IUPAC chemical names to SMILES: fallback cascade OPSIN → IUPAC2Struct → ChemConv

Web app for the Orthonym engine: draw or paste a structure, get its IUPAC name. OPSIN reads every name back, and each name shows the tier it earned: PIN, fallback, best effort, or no name.

Deterministic structure-to-IUPAC-name generator. Names are checked by an OPSIN round trip, the engine declines rather than guess, and --provenance says how each name was checked.