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chemical_checker
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Title
Priority
Created date
Updated date
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Manual
Title
Current preprocess scripts may have errors
#84
· created
Apr 18, 2019
by
Miquel Duran-Frigola
Package
CLOSED
1
updated
May 10, 2019
Database organization
#92
· created
Apr 26, 2019
by
Miquel Duran-Frigola
Package
CLOSED
4
updated
Feb 15, 2022
Do not calculate properties unless it is necessary at predict time when pre-processing
#80
· created
Apr 17, 2019
by
Miquel Duran-Frigola
Package
CLOSED
0
updated
Jul 01, 2019
First attempt to expand the CC, dataset B4.002
#78
· created
Apr 16, 2019
by
Miquel Duran-Frigola
Apr 22, 2019
Package
CLOSED
1
updated
Apr 25, 2019
HPC capabilities for fit() and predict()
#93
· created
Apr 26, 2019
by
Miquel Duran-Frigola
Apr 30, 2019
Package
CLOSED
2
updated
May 10, 2019
Issues map_dataset_datasource table
#86
· created
Apr 23, 2019
by
Miquel Duran-Frigola
Package
CLOSED
1
updated
May 03, 2019
Memory error while trying to predict targets (molpropery) on large molrepo
#82
· created
Apr 17, 2019
by
Miquel Duran-Frigola
Package
CLOSED
1
updated
May 03, 2019
Pickles in python 3
#131
· created
Sep 20, 2019
by
Miquel Duran-Frigola
Sep 21, 2019
Package
CLOSED
2
updated
Sep 20, 2019
Pidgin v3 wrapper
#103
· created
May 02, 2019
by
Miquel Duran-Frigola
May 3, 2019
Package
CLOSED
1
updated
May 06, 2019
predict_from_inchi method in signature3?
#132
· created
Sep 20, 2019
by
Miquel Duran-Frigola
Package
CLOSED
1
updated
Feb 15, 2022
Quick start does not work on my computer
#67
· created
Apr 10, 2019
by
Miquel Duran-Frigola
Package
Repository
CLOSED
1
updated
Apr 10, 2019
Rename some folders and write better documentation
#57
· created
Feb 22, 2019
by
Miquel Duran-Frigola
Feb 26, 2019
Package
CLOSED
1
updated
Feb 26, 2019
setup script not working on laptops
#55
· created
Feb 19, 2019
by
Martino Bertoni
Package
CLOSED
1
updated
Feb 26, 2019
setup_singularity.sh does not work
#68
· created
Apr 10, 2019
by
Miquel Duran-Frigola
Package
Repository
CLOSED
1
updated
Apr 10, 2019
Turn off logging?
#137
· created
Oct 21, 2019
by
Miquel Duran-Frigola
Package
CLOSED
1
updated
Oct 23, 2019
Two further proofs of concept of the pre-processings
#70
· created
Apr 10, 2019
by
Miquel Duran-Frigola
Downloads
Package
CLOSED
1
updated
Apr 17, 2019