COMMITS
October 26, 2015
J
moved some files to "old"
Jan Stanstrup committed
J
Added some test data to make it run out of the box
Jan Stanstrup committed
J
Script to build models for all systems seperately
Jan Stanstrup committed
J
Added all compounds as system descriptors
Jan Stanstrup committed
J
expanded parameters
Jan Stanstrup committed
October 14, 2015
J
cleanup + failed attempt to make one model for all systems.
Jan Stanstrup committed
October 13, 2015
J
windows compatible multi-threading.
Jan Stanstrup committed
J
moved studd to obabel2R
Jan Stanstrup committed
J
moved stuff to obabel2R
Jan Stanstrup committed
J
first script to do QSRR with predret.
Jan Stanstrup committed
October 12, 2015
J
Merge branch 'master' of github.com:stanstrup/predret_shiny
Jan Stanstrup committed
J
checking for wrong package
Jan Stanstrup committed
September 14, 2015
J
added massageR dependency instead of chemhelper
Jan Stanstrup committed
J
Updated to move some plot settings from Rplot_extra to the scripts
Jan Stanstrup committed
September 4, 2015
J
Added PredRet_list_models
Jan Stanstrup committed
J
Added some spacers in the code
Jan Stanstrup committed
J
removed database argument from PredRet_plot.model.fit
Jan Stanstrup committed
J
added systems argument to PredRet_get_db
Jan Stanstrup committed
J
removed database argument for redRet_plot.model.fit
Jan Stanstrup committed
J
added from and to in PredRet_plot.model.fit
Jan Stanstrup committed
J
added from and to in PredRet_get_models
Jan Stanstrup committed
J
from_oid and to_oid in get_models
Jan Stanstrup committed
J
from_oid and to_oid in get_models
Jan Stanstrup committed
J
added PredRet_plot.model.fit
Jan Stanstrup committed
J
added include.suspect to sys_comb_matrix
Jan Stanstrup committed
J
"plot" needed
Jan Stanstrup committed
J
renamed file.
Jan Stanstrup committed
J
Added gradient to PredRet_plot.db.graph.
Jan Stanstrup committed