chemprop
Molecular Property Prediction with Message Passing Neural Networks
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install chemprop
Dependencies
Releases
| Version | Released | Bookworm Python 3.11 |
Trixie Python 3.13 |
Files |
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| 2.3.1 | 2026-08-04 | |||
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| 2.3.0 | 2026-07-16 | |||
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| 2.3.0rc1 pre-release | 2026-07-08 | |||
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| 2.2.4 | 2026-07-01 | |||
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| 2.2.3 | 2026-03-26 | |||
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| 2.2.2 | 2026-01-19 | |||
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| 2.2.1 | 2025-08-01 | |||
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| 2.2.0 | 2025-05-29 | |||
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| 2.1.2 | 2025-03-03 | |||
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| 2.1.1 | 2025-01-29 | |||
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| 2.1.0 | 2024-10-23 | |||
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| 2.0.5 | 2024-10-12 | |||
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| 2.0.4 | 2024-07-30 | |||
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| 2.0.3 | 2024-06-28 | |||
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| 2.0.2 | 2024-06-14 | |||
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| 2.0.1 | 2024-06-06 | |||
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| 2.0.0 | 2024-04-23 | |||
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| 2.0.0rc1 pre-release | 2024-03-04 | |||
| 1.7.1 | 2024-04-12 | |||
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| 1.7.0 | 2024-03-04 | |||
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| 1.6.1 | 2023-08-01 | |||
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| 1.6.1.dev0 pre-release | 2024-02-29 | |||
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| 1.6.0 yanked | 2023-07-20 | |||
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| 1.5.2 | 2022-07-20 | |||
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| 1.5.1 | 2022-05-01 | |||
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| 1.5.0 | 2022-04-30 | |||
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| 1.4.1 | 2022-01-24 | |||
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| 1.3.1 | 2021-07-28 | |||
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| 1.3.0 | 2021-04-26 | |||
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| 1.2.0 | 2021-01-26 | |||
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| 1.1.0 | 2020-10-25 | |||
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| 1.0.2 | 2020-07-25 | |||
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| 1.0.1 | 2020-07-25 | |||
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| 1.0.0 | 2020-07-25 | |||
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