---
id: epam-indigo
version: "1.45.0"
license: Apache-2.0
license_treatment: permissive
maintenance: active
---

# epam-indigo — Indigo universal cheminformatics toolkit

License: permissive · Maintenance: active · Downloads: 80.1K/mo

## What it is and what it does

Indigo is a cheminformatics library maintained by EPAM Systems that provides Python access to molecular structure manipulation, rendering, and analysis tools. It wraps compiled C/C++ core algorithms and is distributed as platform-specific wheels for macOS, Linux, and Windows. The library handles chemical structure formats (SMILES, SDF), molecule rendering, canonical SMILES generation, and R-group deconvolution. It has no Python runtime dependencies, meaning installation is self-contained once the appropriate binary wheel is available for your platform.

The package targets developers and researchers working with chemical data, offering a lower-level API for integrating chemistry operations into Python applications. It is part of a larger EPAM Indigo ecosystem that includes database search engines (Bingo for Oracle/SQL Server/PostgreSQL, Bingo-Elastic for Elasticsearch) and standalone utilities, but the PyPI package itself focuses on the core library bindings.

Use it for:

- Parse and manipulate molecular structures from SMILES or SDF files in cheminformatics workflows
- Generate canonical SMILES representations for chemical structure normalization and deduplication
- Render molecule and reaction structures to images for visualization or reporting
- Perform R-group deconvolution to analyze combinatorial chemistry libraries
- Integrate chemistry data processing into Python applications without external database dependencies

## Worth the install?

AI-flagged interpretation of the facts above — verify before relying.

Indigo is a universal cheminformatics library that provides Python bindings for molecular structure handling, rendering, and chemistry search operations across multiple platforms.

Yes, if you need a self-contained cheminformatics library for Python. The package is actively maintained, has no known vulnerabilities, uses a permissive license, and supports current Python versions. Install friction is moderate due to platform-specific wheels, but this is typical for compiled chemistry libraries. Verify that your platform (OS and architecture) is among the six supported wheel variants before installing.

## Install

pip install epam-indigo
uv add epam-indigo
poetry add epam-indigo

## Installing epam-indigo

Before you install: Medium install friction due to platform-specific wheel distributions (macOS arm64/x86_64, Linux x86_64/aarch64, Windows 32/64-bit). Package is actively maintained with recent releases and no known vulnerabilities.

License in practice: Licensed under Apache License 2.0 (permissive), allowing commercial and private use with minimal restrictions beyond attribution and liability disclaimers.

Quickstart:

pip install epam-indigo

import indigo

indigo_instance = indigo.Indigo()
mol = indigo_instance.loadMolecule('c1ccccc1')
print(mol.smiles())

Requires Python 3.6 or later; platform-specific binary wheels mean installation may fail on unsupported architectures or operating systems.

Verify before relying:

- Whether the package includes command-line tools (indigo-depict, indigo-cano, indigo-deco) in the PyPI wheel or only the library API
- Performance characteristics and typical use-case scale (e.g., molecule count, structure complexity limits)
- Whether Bingo or Bingo-Elastic database integration is available through this PyPI package or requires separate installation

## Package facts

- License: Apache-2.0 (permissive)
- Python support: supports_current
- Install friction: medium
- Maintenance: active
- Downloads: 80.1K/month (top 15,000 on PyPI)
- Known vulnerabilities: none known

## Tags

chemistry library python, molecular structure handling, cheminformatics toolkit, molecule rendering, SMILES processing, chemical structure search, indigo chemistry, chemistry, molecular-structure, compiled-extension

[View on SkillFed](https://skillfed.io/packages/epam-indigo) · [View on PyPI](https://pypi.org/project/epam-indigo/)