epam-indigo

library1.43.0pypypi✓ verified 85d ago

Epam Indigo is a universal cheminformatics toolkit for molecule handling, substructure search, SMILES/SMARTS parsing, fingerprinting, and R-group decomposition. Current version 1.43.0, released monthly.

devops

pip install epam-indigo

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INSTALL

IMPORT

SIG · EPAM-INDIGO

epam-indigo

devopspythonv1.43.0

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.

Indigo

✓ from indigo import Indigo

Standard import path

IndigoRenderer

✓ from indigo.renderer import IndigoRenderer

Renderer for SVG/PNG output

IndigoInchi

✓ from indigo.inchi import IndigoInchi

InChI support

IndigoBingo

✓ from indigo.bingo import IndigoBingo

Bingo cartridge interface

Load benzene, aromatize, output SMILES, and render SVG.

from indigo import Indigo from indigo.renderer import IndigoRenderer indigo = Indigo() mol = indigo.loadMolecule('C1=CC=CC=C1') mol.aromatize() print(mol.smiles()) renderer = IndigoRenderer(indigo) svg = renderer.renderToBuffer(mol) with open('benzene.svg', 'w') as f: f.write(svg.decode())

Debug

Known issues

breakingimport epam.indigo no longer works; use from indigo import Indigo

fix

Change import to 'from indigo import Indigo'

affects: >=1.0.0

gotchaMolecule objects are not hashable; cannot use as dictionary keys.

fix

Use molecule.smiles() or molecule.molfile() as key.

affects: all

gotchaloadMolecule returns an object; to get canonical SMILES call .canonicalSmiles(), not .smiles() (which may return non-canonical).

fix

Use .canonicalSmiles() for canonical representation.

affects: all

Errors

Common errors & fixes

ModuleNotFoundError: No module named 'indigo'

Trying to import without installing epam-indigo or using outdated import path.

fix

pip install epam-indigo and use 'from indigo import Indigo'.

IndigoException: molecule can not be loaded

Invalid SMILES or molfile string passed to loadMolecule.

fix

Validate input SMILES (e.g., via rdkit) before loading or catch exception.

IndigoException: timeout error

Excessive computation (e.g., large substructure search or fingerprint calculation) hit the internal timeout.

fix

Increase timeout with indigo.setOption('timeout', 60000) (milliseconds).

Upgrade

Version history

1.43.0latest on PyPI · released May 13, 2026

Audit

Dependencies

PillowoptionalRequired for rendering molecule images in Jupyter notebooks

ipythonoptionalRequired for displaying molecule SVGs inline

Agent activity

2 hits · last 30 days

node

Resources

homepagehttps://lifescience.opensource.epam.com/indigo/index.html ↗