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Todor Kondic
todor.kondic
- Oct 23, 2019
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Todor Kondic authored -
Todor Kondic authored
At this stage shinyscreen trivially runs :)
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
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- Oct 22, 2019
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Todor Kondic authored
though, the compound list file is still not showing
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Todor Kondic authored
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- Oct 21, 2019
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Todor Kondic authored
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- Oct 20, 2019
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Todor Kondic authored
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- Oct 19, 2019
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Todor Kondic authored
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Todor Kondic authored
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- Oct 18, 2019
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Todor Kondic authored
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- Oct 17, 2019
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Todor Kondic authored
Fixadduct See merge request !19
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Todor Kondic authored
The read.csv function has an idiotic addition to automatically interpret characters such as # as comments. This will, obviously murder all SMILEs with hashes. We made an effort to add comment.char='' to each read.csv call.
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- Sep 04, 2019
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Todor Kondic authored
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- Sep 02, 2019
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Todor Kondic authored
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- Aug 30, 2019
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Todor Kondic authored
Fix cmpd import See merge request !18
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
This is a major update in which shinyscreen was adapted to take a set of existing IDs from a master compound and do what it originally did.
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- Aug 22, 2019
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Todor Kondic authored
Devel See merge request !17
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Todor Kondic authored
ability to screen for mass, not SMILES in NT cases; for preProc's QC See merge request !16
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- Aug 21, 2019
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Adelene Lai authored
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Adelene Lai authored
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- Aug 09, 2019
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Todor Kondic authored
Devel See merge request !15
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Todor Kondic authored
* R/mix.R(rendersmiles2): Fix colour.
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Todor Kondic authored
Integrate adduc calc into shinyscreen See merge request !14
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- Aug 08, 2019
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Todor Kondic authored
Devel See merge request !12
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Todor Kondic authored
* R/mix.R(rendersmiles2): Fix colour.
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- Aug 07, 2019
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Todor Kondic authored
Devel See merge request !11
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Todor Kondic authored
* R/mix.R(rendersmiles2): Fix colour.
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Todor Kondic authored
Layout See merge request !10
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Todor Kondic authored
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Todor Kondic authored
vertical legend with good font size See merge request !9
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Todor Kondic authored
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Todor Kondic authored
Devel See merge request !8
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Todor Kondic authored
* R/mix.R(rendersmiles2): Fix colour.
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- Aug 05, 2019
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Todor Kondic authored
Devel See merge request !7
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