Aqme

- Fixed a bug in the automated charge detector for metal complexes
- Adapted CREST workflows to work with metal templates
- Refactored utils and rearrange files to meet code analyzer standards
- The mol object that CREST uses as input now comes from the RDKit conformer generator (otherwise, metal templates aren't applied and stereochemistry information might be lost)

1. Workflows were updated
2. Small fixes in CREST when using constraints
3. Readme was updated
4. GoodVibes added in installation requirements

Publication version

This version improves how AQME reads PATHs from arguments to make the program more robust

Fixes pip install issue coming from older versions

First official version of AQME ready to generate publication-quality results