moldrug
moldrug is a python package for drug-oriented optimization on the chemical space.
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install moldrug
Releases
| Version | Released | Bullseye Python 3.9 |
Bookworm Python 3.11 |
Files |
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| 3.7.3 | 2024-07-05 | |||
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| 3.7.2 | 2024-01-24 | |||
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| 3.7.1 | 2024-01-14 | |||
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| 3.7.0 | 2024-01-14 | |||
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| 3.6.1 | 2023-12-11 | |||
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| 3.6.0 | 2023-12-07 | |||
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| 3.5.0 | 2023-10-26 | |||
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| 3.4.0 | 2023-03-10 | |||
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| 3.3.0 | 2022-12-21 | |||
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| 3.2.5 | 2022-12-20 | |||
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| 3.2.2 | 2022-12-12 | |||
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| 3.2.0 | 2022-11-28 | |||
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| 3.1.0 | 2022-11-28 | |||
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| 3.0.3 | 2022-11-26 | |||
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| 3.0.1 | 2022-11-24 | |||
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| 3.0.0 | 2022-11-23 | |||
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| 2.1.12 | 2022-09-29 | |||
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| 2.1.7 | 2022-09-02 | |||
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| 2.1.0 | 2022-08-30 | |||
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| 2.0.0 | 2022-08-25 | |||
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| 1.1.0 | 2022-08-22 | |||
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| 1.0.2 | 2022-08-08 | |||
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| 1.0.0 | 2022-07-30 | |||
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| 0.1.0 | 2022-07-25 | |||
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| 0.0.4.post1.dev0 pre-release | 2022-07-21 | |||
| 0.0.3.post1.dev0 pre-release | 2022-07-19 | |||
| 0.0.2.post1.dev0 pre-release | 2022-07-17 | |||
| 0.0.1b9 pre-release | 2022-07-15 | |||
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| 0.0.1b8 pre-release | 2022-07-11 | |||
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| 0.0.1b6 pre-release | 2022-07-10 | |||
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| 0.0.1b5 pre-release | 2022-07-09 | |||
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