Posebusters

Latest version: v0.3.6

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0.3.6

Bug fix:
* Fixed an issue where a non-sanitizable input reference molecule would cause raise a sanitization error 58

0.3.5

Flatness module:
- Update default non-flatness configuration to include simple 6-membered rings only

0.3.4

Flatness module:
- Add the non-flatness check for non-aromatic rings to the default configuration

0.3.3

Flatness module:
- Adds non-flatness check for non-aromatic rings e.g. cyclohexane

0.3.2

RMSD module:
- Assigning bond orders to

Energy ratio module
- Update energy ratio tests to be compatible with InChI 1.07

Update
- Add support for Python 3.13
- Drop support for Python 3.8
- Require RDKit version 2024.9 as a minimum

0.3.1

Sanity module:
- Add InChI chemistry check requiring that a valid molecule can be converted to a standard InChI key and back. This test detects some chemical issues that the RDKit sanitization test does not flag.

Energy ratio module:
- Improve warning messages.

Config:
- Add InChI chemistry check to all default configurations.

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