Commit graph

2d24586 (HEAD -> master) did rm on removed files to stock tracking by Nicolas Zimmermann 2019-09-18 23:40:25 +0200
c62a73f corrected README content by Nicolas Zimmermann 2019-09-18 23:38:07 +0200
c2f35ab removed useless files, added report by Nicolas Zimmermann 2019-09-18 23:35:20 +0200
023617e separated conformations module from projet8, added a figure by Nicolas Zimmermann 2019-09-18 22:19:07 +0200
05bc57e fixed the Conformations.visualise method bug by nicolas-zimmermann 2019-09-18 19:42:34 +0200
194bb3d added Conformations.visualise method to visualise clusters, added lines to main by nicolas-zimmermann 2019-09-18 19:09:57 +0200
cf44de6 uneffective correction and yummy easter by nicolas-zimmermann 2019-09-18 17:40:19 +0200
1f2f9fc added Conformations.small_kmedoids method to compute kmedoids by nicolas-zimmermann 2019-09-18 17:09:32 +0200
dfe4789 modified code (__init__) to save distance matrixes in Conformations instances by nicolas-zimmermann 2019-09-18 16:01:27 +0200
d77136b added Conformations.dist_from_dissimilarity function by nicolas-zimmermann 2019-09-18 14:41:55 +0200
0017ab3 added diss_mat.dat, obtained from Conformations.dissimilarity, long to compute by nicolas-zimmermann 2019-09-18 14:41:28 +0200
6188386 documentation for the kmedoid function from pyclustering by Nicolas Zimmermann 2019-09-17 23:42:18 +0200
6f5fa0f changed yml file to generate env, added kmedoids lib, added citations file by nicolas-zimmermann 2019-09-17 17:12:45 +0200
eeb5589 working version of Conformations.dissimilarity method, SLOW by nicolas-zimmermann 2019-09-17 16:43:49 +0200
dc6da63 added Conformation.dissimilarity method, unfinished by Nicolas Zimmermann 2019-09-17 01:13:58 +0200
26eed4d added Z row and col to data/PBs_substitution_matrix.dat with weights 0 by Nicolas Zimmermann 2019-09-17 00:16:56 +0200
4144a2a changed 'Conformation.dissimilarity' method to 'Conformation.identity' method by Nicolas Zimmermann 2019-09-16 23:22:35 +0200
3662e3a changed projet8.py to a more OOP fashion, modified README by Nicolas Zimmermann 2019-09-16 22:29:51 +0200
88d52b8 added beginning of program, md.pdb as toy example and README by Nicolas Zimmermann 2019-09-15 18:54:19 +0200
220ba06 added config-projet.yml for conda env creation by Nicolas Zimmermann 2019-09-14 10:52:32 +0200
0040915 added substitution matrix and PB formated barstar from pbxlore lib by Nicolas Zimmermann 2019-09-14 10:48:47 +0200
5afbb1f initial commit, repository structure and documentation by nicolas-zimmermann 2019-09-10 10:52:07 +0200