rdkit
A collection of chemoinformatics and machine-learning software written in C++ and Python
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install rdkit
Dependencies
- None
Releases
| Version | Released | Bullseye Python 3.9 |
Bookworm Python 3.11 |
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| 2025.3.5 | 2025-08-01 | |||
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| 2025.3.4 | 2025-07-31 | |||
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| 2025.3.3 | 2025-06-12 | |||
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| 2025.3.2 | 2025-05-13 | |||
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| 2025.3.1 | 2025-05-09 | |||
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| 2024.9.6 | 2025-03-12 | |||
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| 2024.9.5 | 2025-02-05 | |||
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| 2024.9.4 | 2025-01-07 | |||
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| 2024.9.3 | 2025-01-05 | |||
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| 2024.9.2 | 2025-01-05 | |||
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| 2024.9.1 | 2024-12-29 | |||
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| 2024.3.6 | 2024-11-07 | |||
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| 2024.3.5 | 2024-08-07 | |||
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| 2024.3.4 | 2024-08-06 | |||
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| 2024.3.3 | 2024-07-05 | |||
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| 2024.3.2 | 2024-07-05 | |||
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| 2024.3.1 | 2024-06-24 | |||
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| 2023.9.6 | 2024-04-27 | |||
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| 2023.9.5 | 2024-02-14 | |||
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| 2023.9.4 | 2024-01-06 | |||
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| 2023.9.3 | 2023-12-22 | |||
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| 2023.9.2 | 2023-11-25 | |||
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| 2023.9.1 | 2023-10-25 | |||
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| 2023.3.3 | 2023-08-18 | |||
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| 2023.3.2 | 2023-06-25 | |||
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| 2023.3.1 | 2023-05-03 | |||
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| 2022.9.5 | 2023-02-26 | |||
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| 2022.9.4 | 2023-01-24 | |||
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| 2022.9.3 | 2022-12-11 | |||
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| 2022.9.2 | 2022-11-25 | |||
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| 2022.9.1 | 2022-10-24 | |||
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| 2022.3.5 | 2022-08-09 | |||
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| 2022.3.4 | 2022-07-06 | |||
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| 2022.3.3 | 2022-06-17 | |||
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