COMMITS
May 13, 2016
S
disable progressbar lost in shinyBS, hardcode docker mongo
Steffen Neumann committed
S
bypass wordpress authentification
Steffen Neumann committed
March 18, 2016
J
Updated install instructions to include all the dependencies
Jan Stanstrup committed
February 5, 2016
S
changed the script to download WB data to use the mwtabR package.
stanstrup committed
November 26, 2015
J
added quering of metabolomicsworkbench studies mwtab data.
Jan Stanstrup committed
J
moved some files in _extra
Jan Stanstrup committed
J
removed example_datatable_with_selection since the app does it now
Jan Stanstrup committed
J
removed function that has been added to rmongodb
Jan Stanstrup committed
November 24, 2015
J
removed samples
Jan Stanstrup committed
J
remvoed raw predret db file
Jan Stanstrup committed
J
reognaized QSSR files.
Jan Stanstrup committed
November 22, 2015
J
added rmongodb dependency install
Jan Stanstrup committed
J
Merge branch 'master' of github.com:stanstrup/PredRet
Jan Stanstrup committed
J
added installation instructions to README.md
Jan Stanstrup committed
November 13, 2015
J
added license
Jan Stanstrup committed
November 11, 2015
J
started to add rcdk descriptors
Jan Stanstrup committed
November 9, 2015
J
PCA of compounds/descriptors
Jan Stanstrup committed
October 29, 2015
J
re-calculated models and wrote the models to a file to have a test set available
Jan Stanstrup committed
October 28, 2015
J
unneccesary entry in .gitignore
Jan Stanstrup committed
J
merged gitignore files
Jan Stanstrup committed
J
readRDS and not loadRDS
Jan Stanstrup committed
J
updated folder reference
Jan Stanstrup committed
J
moved shiny widget function to the package and bumped version
Jan Stanstrup committed
J
Renamed a folder
Jan Stanstrup committed
J
added some .ignore files
Jan Stanstrup committed
J
for structural similary added plot to optimize parameters
Jan Stanstrup committed
October 26, 2015
J
added pre-calculated models
Jan Stanstrup committed
J
moved structural similarity based to its own folder
Jan Stanstrup committed
J
Cleaned up script and made it run out of the box.
Jan Stanstrup committed
J
Added .gitattributes to repo
Jan Stanstrup committed