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  • chemical_checkerchemical_checker
  • Issues

  • Open 0
  • Closed 16
  • All 16
New issue
  • Priority Created date Updated date Milestone due date Due date Popularity Label priority Manual Title
  • Database organization
    #92 · created Apr 26, 2019 by Miquel Duran-Frigola   Package
    • CLOSED
    • 4
    updated Feb 15, 2022
  • predict_from_inchi method in signature3?
    #132 · created Sep 20, 2019 by Miquel Duran-Frigola   Package
    • CLOSED
    • 1
    updated Feb 15, 2022
  • Turn off logging?
    #137 · created Oct 21, 2019 by Miquel Duran-Frigola   Package
    • CLOSED
    • 1
    updated Oct 23, 2019
  • Pickles in python 3
    #131 · created Sep 20, 2019 by Miquel Duran-Frigola   Sep 21, 2019   Package
    • CLOSED
    • 2
    updated Sep 20, 2019
  • 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
  • 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
  • Current preprocess scripts may have errors
    #84 · created Apr 18, 2019 by Miquel Duran-Frigola   Package
    • CLOSED
    • 1
    updated May 10, 2019
  • Pidgin v3 wrapper
    #103 · created May 02, 2019 by Miquel Duran-Frigola   May 3, 2019   Package
    • CLOSED
    • 1
    updated May 06, 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
  • 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
  • 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
  • setup_singularity.sh does not work
    #68 · created Apr 10, 2019 by Miquel Duran-Frigola   Package Repository
    • CLOSED
    • 1
    updated Apr 10, 2019
  • 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