Nicolas Zimmermann
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023617e576
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separated conformations module from projet8, added a figure
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2019-09-18 22:19:07 +02:00 |
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nicolas-zimmermann
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05bc57ef6e
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fixed the Conformations.visualise method bug
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2019-09-18 19:42:34 +02:00 |
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nicolas-zimmermann
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194bb3dcef
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added Conformations.visualise method to visualise clusters, added lines to main
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2019-09-18 19:09:57 +02:00 |
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nicolas-zimmermann
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cf44de69ed
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uneffective correction and yummy easter
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2019-09-18 17:40:19 +02:00 |
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nicolas-zimmermann
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1f2f9fcfef
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added Conformations.small_kmedoids method to compute kmedoids
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2019-09-18 17:09:32 +02:00 |
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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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2019-09-18 16:01:27 +02:00 |
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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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2019-09-18 14:41:55 +02:00 |
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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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2019-09-18 14:41:28 +02:00 |
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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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2019-09-17 23:42:18 +02:00 |
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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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2019-09-17 17:12:45 +02:00 |
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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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2019-09-17 16:43:49 +02:00 |
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Nicolas Zimmermann
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dc6da63651
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added Conformation.dissimilarity method, unfinished
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2019-09-17 01:13:58 +02:00 |
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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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2019-09-17 00:16:56 +02:00 |
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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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2019-09-16 23:22:35 +02:00 |
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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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2019-09-16 22:29:51 +02:00 |
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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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2019-09-15 18:54:19 +02:00 |
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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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2019-09-14 10:52:32 +02:00 |
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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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2019-09-14 10:48:47 +02:00 |
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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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2019-09-10 10:52:07 +02:00 |