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Environmental Cheminformatics
Merge requests

Open 1
Merged 79
Closed 9
All 89

Generate output based on PubChemLite/MetFrag legend

pubchem!9 · created Nov 03, 2020 by Todor Kondic
- MERGED
- 9
updated Nov 05, 2020
Master

pubchem!8 · created Nov 01, 2020 by Todor Kondic Revamp pubchemlite
- MERGED
- 14
updated Nov 02, 2020
Synchronise personal pubchemlite with the official one.

pubchem!7 · created Oct 31, 2020 by Todor Kondic Revamp pubchemlite
- MERGED
- 0
updated Oct 31, 2020
add merged S60+66+68 underlying Transformations section

pubchem!6 · created Sep 21, 2020 by Adelene Lai
- MERGED
- 0
updated Sep 21, 2020
Merge version 0.2.7

rmb-mix-method!31 · created Aug 19, 2020 by Todor Kondic
- MERGED
- 0
updated Aug 19, 2020
Fixes situations in which a workspace of N CEs get some compound with less than N MS2

rmb-mix-method!30 · created Aug 19, 2020 by Todor Kondic devel
- MERGED
- 0
updated Aug 19, 2020
Fix collision energy labels in records as well as the record names

rmb-mix-method!29 · created Aug 18, 2020 by Todor Kondic devel
- MERGED
- 0
updated Aug 18, 2020
Devel

rmb-mix-method!28 · created Aug 12, 2020 by Todor Kondic devel
- MERGED
- 0
updated Aug 12, 2020
DATASET fix and basic docs.

rmb-mix-method!27 · created Aug 08, 2020 by Todor Kondic
- MERGED
- 0
updated Aug 08, 2020
Fix accesion part of the record name and add some more entries.

rmb-mix-method!26 · created Aug 08, 2020 by Todor Kondic
- MERGED
- 0
updated Aug 08, 2020
Fix the fix

rmb-mix-method!25 · created Jul 29, 2020 by Todor Kondic devel
- MERGED
- 0
updated Jul 29, 2020
Version 0.2.4

rmb-mix-method!24 · created Jul 29, 2020 by Todor Kondic
- MERGED
- 0
updated Jul 29, 2020
R/run.R: Fix the case when `ok' children slot is of length zero

rmb-mix-method!23 · created Jul 28, 2020 by Todor Kondic devel
- MERGED
- 0
updated Jul 28, 2020
Devel

rmb-mix-method!22 · created Jul 27, 2020 by Todor Kondic devel
- MERGED
- 0
updated Jul 27, 2020
Hack around rbind errors during step six

rmb-mix-method!21 · created Jul 11, 2020 by Todor Kondic devel
- MERGED
- 0
updated Jul 11, 2020
pubchemlite: Add postbuild metfrag CSV size tests

pubchem!5 · created Jun 17, 2020 by Todor Kondic
- MERGED
- 1
updated Jun 18, 2020
Add MD5 hash and the file size checks to pubchemlite

pubchem!4 · created Jun 12, 2020 by Todor Kondic
- MERGED
- 1
updated Jun 12, 2020
Master

rmb-mix-method!20 · created Jun 07, 2020 by Todor Kondic
- MERGED
- 0
updated Jun 07, 2020
Master

rmb-mix-method!19 · created Jun 05, 2020 by Todor Kondic
- MERGED
- 0
updated Jun 05, 2020
Update build scripts

pubchem!3 · created Apr 06, 2020 by Todor Kondic
- MERGED
- 1
updated Apr 06, 2020

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