corydupai / proteinchemicalspace

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proteinchemicalspace

Code Notes:

random_peptides.py was used to generate random peptide libraries of various lengths

protparamanalysis.py was used to get amino acid counts and values for various chemical properties for each peptide in a library

PCA_topval_5mil.Rmd and sorting.py were used in extreme value-based library pruning

PCAofkmeans.Rmd and performing_kmeans_clustering.Rmd were used in kmeans based pruning

PCA_1C.Rmd was used to do the gridded pruning

knngraph_updated.Rmd was used to do the KNN-based pruning

remove_mult_aa.Rmd and get_top_aa.Rmd were used in approach 2a

AA_freq.Rmd and PCA_AA_FREQS.Rmd were used in approach 2b

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