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Fpsim2

Latest version: v0.5.1

Safety actively analyzes 641872 Python packages for vulnerabilities to keep your Python projects secure.

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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

0.4.2

- optimise memory usage in SQLAlchemy backend
- Python 3.11 wheels

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