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Fpsim2

Latest version: v0.5.2

Safety actively analyzes 688792 Python packages for vulnerabilities to keep your Python projects secure.

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0.5.2

- NumPy 2.0 compatibility
- No Python 3.9 builds because of PyTables

0.5.1

* integrate isim_comp.py module from: https://doi.org/10.26434/chemrxiv-2023-fxlxg

0.5.0

- Python 3.12 compatibility
- Minimum PyTables required version: 3.9.1
- Minimum Python required version: 3.9
- query molecule can be now an RDKit object

0.4.5

* fix cuda engine

* try/except for inchi parsing

* keep it compatible with SQLA 1.4.7

0.4.4

pg schema usage

0.4.3

- SQLAlchemy 2.0
- Oracle support

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