epam-indigo
Indigo universal cheminformatics toolkit
Decision gist · record as of 2026-08-14
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.AI-flagged interpretation of the facts on this page — verify before relying
Before you install
- Requires Python 3.6 or later; platform-specific binary wheels mean installation may fail on unsupported architectures or operating systems.
- 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 · maintenance · safety
Apache-2.0 (permissive) — Licensed under Apache License 2.0 (permissive), allowing commercial and private use with minimal restrictions beyond attribution and liability disclaimers.
last release 2026-07-10 (35 days) · last repo commit 2026-08-13 · 404 stars
0 known vulnerabilities (OSV.dev, 2026-08-14) · 80,130 downloads/mo, #14,319 on PyPI
Alternatives
Verify before relying
pip install epam-indigo
import indigo
indigo_instance = indigo.Indigo()
mol = indigo_instance.loadMolecule('c1ccccc1')
print(mol.smiles())- 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
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 on this page. Verify before relying on it.
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
epam-indigo on PyPI
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.
Requires Python 3.6 or later; platform-specific binary wheels mean installation may fail on unsupported architectures or operating systems.
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())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 the current Python release >=3.6.0 |
| Install friction | Medium. Platform-specific wheel |
| Runtime dependencies | None |
| Maintenance | Actively maintained 35 days since the last release |
| Last repo commit | |
| First released | |
| Downloads | 80,130 / month, #14,319 on PyPI 30-day window, as of 2026-08-14 |
| Known vulnerabilities | None known OSV.dev, checked 2026-08-14 |
| Classifiers | Development Status :: 5 - Production/StableIntended Audience :: DevelopersIntended Audience :: Science/ResearchLicense :: OSI Approved :: Apache Software LicenseOperating System :: MacOSOperating System :: Microsoft :: WindowsOperating System :: POSIX :: LinuxProgramming Language :: CProgramming Language :: C++Programming Language :: PythonProgramming Language :: Python :: 3Programming Language :: Python :: 3.10Programming Language :: Python :: 3.6Programming Language :: Python :: 3.7Programming Language :: Python :: 3.8Programming Language :: Python :: 3.9Programming Language :: Python :: Implementation :: CPythonTopic :: Scientific/Engineering :: ChemistryTopic :: Software Development |
Evidence: epam_indigo-1.45.0-py3-none-macosx_11_0_arm64.whl; epam_indigo-1.45.0-py3-none-macosx_11_0_x86_64.whl; epam_indigo-1.45.0-py3-none-manylinux1_x86_64.whl; epam_indigo-1.45.0-py3-none-manylinux2014_aarch64.whl; epam_indigo-1.45.0-py3-none-win32.whl; epam_indigo-1.45.0-py3-none-win_amd64.whl
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