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A modular enzyme design platform integrating Rosetta, ESMFold, and ProteinMPNN

Project description

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.
Adjusted catalytic score, now uses 6-3-2 weights
Added extra rows to all_scores.csv to keep track of scores from design and relax run seperately.
Aligned ESMFold Structure after relaxing for PreMatchRelax.
AIzymes_010 Incorporated ProteinMPNN.

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