py2opsin

library1.2.0pypypi✓ verified 82d ago

Simple Python interface to OPSIN (Open Parser for Systematic IUPAC nomenclature). Version 1.2.0, stable release, low maintenance cadence (latest release Oct 2023).

testing

pip install py2opsin

github ↗homepage ↗

INSTALL

IMPORT

SIG · PY2OPSIN

py2opsin

testingpythonv1.2.0

harness data pending

Install & Compatibility

Where this runs

No compatibility data collected yet for this library.

Code

Verified usage

Verified import paths — ran on the pinned version, not inferred.

NameToSmiles

✓ import py2opsin

✗ from py2opsin import NameToSmiles

Convert an IUPAC name to SMILES string.

from py2opsin import NameToSmiles iupac_name = 'acetaminophen' smiles = NameToSmiles(iupac_name) print(smiles)

Debug

Known issues

gotchaInput must be a valid IUPAC name; common names or trade names may not parse correctly.

fix

Use chemical names following IUPAC nomenclature rules.

affects: all

gotchaOPSIN is a Java library; py2opsin requires Java to be installed and accessible via PATH on the system.

fix

Ensure Java Runtime Environment (JRE) 8+ is installed and java command works.

affects: all

gotchaConcurrent calls to NameToSmiles are not thread-safe; multiple threads may cause conflicts.

fix

Serialize calls or use locking.

affects: all

Upgrade

Version history

1.2.0latest on PyPI · released Mar 16, 2026

Audit

Dependencies

No dependency data recorded yet.

Agent activity

11 hits · last 30 days

node

Resources

githubhttps://github.com/JacksonBurns/py2opsin ↗

homepagehttps://github.com/JacksonBurns/py2opsin ↗