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PyPI · #1819 most downloaded on PyPI
A collection of chemoinformatics and machine-learning software written in C++ and Python
Last release 1 months ago
03 Sep 2026
Ships fairly regularly
a new release about every 4 weeks
Some releases are documented
notes for 27 of 47 stable releases
Nothing withdrawn
no release was ever pulled
4 years old
47 releases · first in 2022
One column per quarter.
🤖 Bump RDKit version to Release_2026_03_6 by @github-actions[bot] in #160
Full Changelog: 2026.03.5...2026.03.6
Update cibuildwheel version to 4.1.0 in CI configuration by @kuelumbus in #157
Full Changelog: 2026.03.4...2026.03.5
🤖 Bump RDKit version to Release_2026_03_4 by @github-actions[bot] in #156
Full Changelog: 2026.03.3...2026.03.4
🤖 Bump RDKit version to Release_2026_03_3 by @github-actions[bot] in #155
Full Changelog: 2026.03.02...2026.03.3
🤖 Bump RDKit version to Release_2026_03_2 by @github-actions[bot] in #154
Full Changelog: 2026.03.01...2026.03.02
🤖 Bump RDKit version to Release_2026_03_1 by @github-actions[bot] in #152
Full Changelog: 2025.09.6...2026.03.01
🤖 Bump RDKit version to Release_2025_09_6 by @github-actions[bot] in #149
Full Changelog: 2025.09.5...2025.09.6
🤖 Bump RDKit version to Release_2025_09_5 by @github-actions[bot] in #146
Full Changelog: 2025.09.4...2025.09.5
🤖 Bump RDKit version to Release_2025_09_4 by @github-actions[bot] in #145
Full Changelog: 2025.09.3...2025.09.4
🤖 Bump RDKit version to Release_2025_09_3 by @github-actions[bot] in #144
Full Changelog: 2025.09.2...2025.09.3
🤖 Bump RDKit version to Release_2025_09_2 by @github-actions[bot] in #143
Full Changelog: 2025.09.1...2025.09.2
🤖 Bump RDKit version to Release_2025_09_1 by @github-actions[bot] in https://github.com/kuelumbus/rdkit-pypi/pull/141
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2025.03.6...2025.09.1
Replace conan 1 with conan 2 by @kuelumbus in https://github.com/kuelumbus/rdkit-pypi/pull/137
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2025.03.5...2025.03.6
🤖 Bump RDKit version to Release_2025_03_5 by @github-actions[bot] in https://github.com/kuelumbus/rdkit-pypi/pull/134
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2025.03.4...2025.03.5
🤖 Bump RDKit version to Release_2025_03_4 by @github-actions[bot] in https://github.com/kuelumbus/rdkit-pypi/pull/133
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2025.03.3...2025.03.4
🤖 Bump RDKit version to Release_2025_03_3 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/131
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2025.03.2...2025.03.3
🤖 Bump RDKit version to Release_2025_03_2 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/130
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2025.03.1...2025.03.2
🤖 Bump RDKit version to Release_2025_03_1 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/129
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.9.6...2025.03.1
🤖 Bump RDKit version to Release_2024_09_6 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/126
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.9.5...2024.9.6
🤖 Bump RDKit version to Release_2024_09_5 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/123
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.9.4...2024.9.5
🤖 Bump RDKit version to Release_2024_09_4 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/119
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.9.3...2024.9.4
🤖 Bump RDKit version to Release_2024_09_3 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/118
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.9.2...2024.9.3
🤖 Bump RDKit version to Release_2024_09_2 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/117
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.9.1...2024.9.2
🤖 Bump RDKit version to Release_2024_09_1 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/116
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.3.6...2024.9.1
EOL Python 3.8 and update cibuildwheel to 2.20.0 by @kuelumbus in https://github.com/kuelumbus/rdkit-pypi/pull/110
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.3.5...2024.3.6
🤖 Bump RDKit version to Release_2024_03_5 by @github-actions in https://github.com/kuelumbus/rdkit-pypi/pull/108
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.3.4...2024.3.5
Bump to 2024_03_4 by @kuelumbus in https://github.com/kuelumbus/rdkit-pypi/pull/105
Full Changelog: https://github.com/kuelumbus/rdkit-pypi/compare/2024.3.3...2024.3.4
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