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Created with Raphaël 2.2.02Oct22Sep2120191817161428May5Jun2Aug17JulMerge branch 'main' of https://gitlab.igem.org/2024/software-tools/evry-paris-saclay into mainmainmainSetup Team Namere-implemented affinity constantno need to import kd hereoutput file structure enhancedconverted kcal/mol to J/moladded src comparison to summaryadded pytorch_cluster to envMerge branch 'main' of github.com:Phagevo/Software into mainfixed minor issueschanged /mutants to /fixed batch output compatibilityresults method to write summary filefixed parser for number of batchessiganture edit and parameter -n addedremoved get_mutations and evaluate_resultscleaned up the mutations codefixed dockingevaluate_results can now also print the SCORE (dG)added the replit files to evaluate the results of the inferencerenamed env to Flintadded new PocletGen dir nameresolve top-level importssetup the project name as "Flint"cleaned up to code, prepared main.py to create new folder the the result of each batchedited sampler result (whole_protein name is now receptor_path)changed pocketgen to PocketGen to be in line with git cloneargument parser natively supports default valuesfixed critical error (pocket -> protein)incorrect bash code blockadded new details about PocketGen forkmodel inference method draftfile cleaning & commentsminor fixes #9, #10fixed param switch on l6signature change in model constructorimplemented argument system for mainupdated README.md (closes #4)updated env.yaml (#6 & #7)fIxed / translated comments (#1)