 nicolas-zimmermann
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1f2f9fcfef
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added Conformations.small_kmedoids method to compute kmedoids
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5 vuotta sitten |
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nicolas-zimmermann
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dfe4789af2
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modified code (__init__) to save distance matrixes in Conformations instances
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5 vuotta sitten |
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nicolas-zimmermann
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d77136b7f4
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added Conformations.dist_from_dissimilarity function
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5 vuotta sitten |
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nicolas-zimmermann
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0017ab32fd
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added diss_mat.dat, obtained from Conformations.dissimilarity, long to compute
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5 vuotta sitten |
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Nicolas Zimmermann
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6188386979
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documentation for the kmedoid function from pyclustering
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5 vuotta sitten |
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nicolas-zimmermann
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6f5fa0f130
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changed yml file to generate env, added kmedoids lib, added citations file
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5 vuotta sitten |
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nicolas-zimmermann
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eeb558960e
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working version of Conformations.dissimilarity method, SLOW
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5 vuotta sitten |
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Nicolas Zimmermann
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dc6da63651
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added Conformation.dissimilarity method, unfinished
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5 vuotta sitten |
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Nicolas Zimmermann
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26eed4d9f2
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added Z row and col to data/PBs_substitution_matrix.dat with weights 0
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5 vuotta sitten |
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Nicolas Zimmermann
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4144a2a093
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changed 'Conformation.dissimilarity' method to 'Conformation.identity' method
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5 vuotta sitten |
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Nicolas Zimmermann
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3662e3a099
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changed projet8.py to a more OOP fashion, modified README
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5 vuotta sitten |
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Nicolas Zimmermann
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88d52b8e8f
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added beginning of program, md.pdb as toy example and README
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5 vuotta sitten |
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Nicolas Zimmermann
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220ba06a41
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added config-projet.yml for conda env creation
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5 vuotta sitten |
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Nicolas Zimmermann
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0040915a7c
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added substitution matrix and PB formated barstar from pbxlore lib
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5 vuotta sitten |
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nicolas-zimmermann
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5afbb1fbcb
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initial commit, repository structure and documentation
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5 vuotta sitten |
