Metadata-Version: 2.4
Name: aizymes
Version: 0.1.0
Summary: A modular enzyme design platform integrating Rosetta, ESMFold, and ProteinMPNN
Author-email: Adrian Bunzel <adrian.bunzel@mpi-marburg.mbg.de>
License: MIT
Requires-Python: >=3.8
Description-Content-Type: text/markdown
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: biopython
Requires-Dist: scikit-learn
Requires-Dist: matplotlib

Put all versions of AIzyme_Functions here. The most up to date version is AIzyme_Functions_009

Every version should be clearly labeled with a number. Lets track major changes in here.

| Version | Changes |
|----------|----------|
| AIzymes_009 | First uploaded version. <br> Adjusted catalytic score, now uses 6-3-2 weights <br> Added extra rows to all_scores.csv to keep track of scores from design and relax run seperately. <br> Aligned ESMFold Structure after relaxing for PreMatchRelax.|
| AIzymes_010 | Incorporated ProteinMPNN.|
