xchem/fragalysis-backend

Issues

• ZeroDivisionError (utils.py:159)

  #369 opened 2 years ago
  0

• Test uses assertDictEqual which (in this case) is unreliable

  #335 opened 2 years ago
  0

• All job execution commands should fail immediately if Squonk is not configured

  #333 opened 2 years ago
  3

• Removing ISPYB credentials has caused problems.

  #332 opened 2 years ago
  0

• ValueError: invalid literal for int() with base 10: '' (api/utils.py:216)

  #320 opened 3 years ago
  0

• Multi-tags

  #310 opened 3 years ago
  0

• Provide upload log files to user

  #309 opened 3 years ago
  0

• Upload fails if compound names are larger than 50 characters

  #246 opened 4 years ago
  0

• Problems with F button with fragments bound to multiple chains

  #245 opened 4 years ago
  0

• Add vendor compound-id to Cipher queries

  #231 opened 4 years ago
  1

• Replace http URLs by relative URLs

  #227 opened 4 years ago
  0

• Download links not working

  #226 opened 4 years ago
  2

• Pull Requests from forks fail (because of Docker credentials)

  #222 opened 4 years ago
  0

• Requirements.txt

  #219 opened 4 years ago
  0

• Snapshot JSON field is Text in the snapshot Model -> JSONField

  #218 opened 4 years ago
  0

• Enable Django admin panel on test systems

  #217 opened 4 years ago
  0

• Optional initialisation of Sentry - and avoid exposing the DSN?

  #216 opened 4 years ago
  3

• Tag official releases

  #214 opened 4 years ago
  0

• Duncan Test

  #213 opened 4 years ago
  0

• Link ideas to discussions (Discourse)

  #212 opened 4 years ago
  0

• Link ideas into ELNs (Scarab)

  #211 opened 4 years ago
  0

• Allow a user to load default representation of ligand through URL

  #210 opened 4 years ago
  0

• Track provenance of data

  #209 opened 4 years ago
  0

• State breaks when data updated (json object)

  #208 opened 4 years ago
  0

• Endpoint to download/import output data from a workflow

  #207 opened 4 years ago
  0

• Endpoint to retrieve workflow status

  #206 opened 4 years ago
  0

• Endpoint to trigger a workflow

  #205 opened 4 years ago
  0

• Add endpoint for csv download - shopping cart/export

  #204 opened 4 years ago
  0

• Add endpoint for sdf download - shopping cart/export

  #203 opened 4 years ago
  0

• Document fragment network

  #202 opened 4 years ago
  0

• Port loader code

  #201 opened 4 years ago
  0

• Electron density - maps upload

  #200 opened 4 years ago
  0

• Ligand model confidence atom selections: Upload/store/serve

  #199 opened 4 years ago
  0

• Export context data (linked to #197)

  #198 opened 4 years ago
  0

• Store state/button clicks as actions for hypotheses context

  #197 opened 4 years ago
  0

• Highlight satisfied and unsatisfied 'interactions' for ligands (and/or protein)

  #196 opened 4 years ago
  0

• Specific interactions v.s. pharmacophores/features/clusters

  #195 opened 4 years ago
  0

• Ligand/protein complementarity - pharmacophore/ESP

  #194 opened 4 years ago
  0

• Global protein flexibility - to map onto template

  #193 opened 4 years ago
  0

• Wonka: port code from xchem/fragalysis-wonka

  #192 opened 4 years ago
  0

• /api/graph endpoint not working

  #179 opened 4 years ago
  5

• Add tests for computed set upload

  #172 opened 4 years ago
  0

• Add tests for views

  #171 opened 4 years ago
  0

• Migrate the codebase to py3

  #170 opened 4 years ago
  0

• Create 'compound_sets' folder

  #166 opened 4 years ago
  0

• Right hand panel - molecule images do not display

  #164 opened 4 years ago
  0

• Filter view duplicate entries

  #163 opened 4 years ago
  0

• Comp method exists - not being caught in celery upload chain

  #161 opened 4 years ago
  0

• Update NumericalScoresView to include compound properties

  #160 opened 4 years ago
  0

• Update CompoundMoleculesView to ComputedMoleculesView

  #159 opened 4 years ago
  0