volkamerlab/teachopencadd

Issues

• book/pdf compilation of all tutorials?

  #427 opened 2 months ago by iaacornus
  0

• T008 HTTP error while retrieving the ligand information

  #423 opened 2 months ago by stalin-antony
  0

• Issues downloading packages from test_env.yml

  #426 opened 2 months ago by cayleb247
  0

• T011: Wikipedia scraping fails

  #406 opened a year ago by mbackenkoehler
  1

• T008-T010: Cannot download PDB structure via MMTF API anymore

  #419 opened 5 months ago by Q84-wq
  7

• TO15_protein_ligand _docking URLError: <urlopen error EOF occurred in violation of protocol (_ssl.c:1131)>

  #424 opened 3 months ago by itWangCode
  0

• T012 - Swagger Mapping Error

  #422 opened 4 months ago by seymasoyler
  0

• T008: Cannot download PDB structure via MMTF API anymore

  #420 opened 5 months ago by seymasoyler
  2

• Possibly tensorflow related installation issue

  #421 opened 5 months ago by dominiquesydow
  3

• CI: `black` fails

  #412 opened a year ago by mbackenkoehler
  2

• teachopencadd.utils error not found

  #401 opened a year ago by arya-blip
  2

• CI: T006 output fail

  #413 opened a year ago by mbackenkoehler
  0

• T001: Pandas deprecation warnings

  #405 opened a year ago by mbackenkoehler
  1

• T024: Pandas/jinja import error

  #407 opened a year ago by mbackenkoehler
  1

• Broken docs links

  #410 opened a year ago by mbackenkoehler
  0

• T019 · Molecular dynamics simulation - problems installing dependencies in Colab

  #403 opened a year ago by dimkorov
  0

• T010: Changed REST API

  #404 opened a year ago by mbackenkoehler
  0

• T008 - module 'Bio' has no attribute 'Alphabet

  #402 opened a year ago by Ash100
  5

• T020: Problem with RMSD Calculation for Resname 03P

  #400 opened a year ago by chinge55
  0

• Conda packaging: env failure

  #390 opened 2 years ago by dominiquesydow
  6

• Env: Package ordering

  #389 opened 2 years ago by dominiquesydow
  0

• [DL Edition] Add missing thumbnail for T038

  #381 opened 2 years ago by mbackenkoehler
  1

• 'no thumb nail' warning on website

  #391 opened 2 years ago by AndreaVolkamer
  1

• Refer to nextAID in the new talktorials

  #392 opened 2 years ago by AndreaVolkamer
  2

• Strategy for data set handling in ML notebooks

  #386 opened 2 years ago by mbackenkoehler
  0

• T018: CI fail

  #385 opened 2 years ago by mbackenkoehler
  0

• [DL Edition] Update external_dependencies

  #346 opened 2 years ago by mbackenkoehler
  1

• [DL Edition] ignore unresponsive sites

  #378 opened 2 years ago by mbackenkoehler
  0

• [DL_edition] Windows CI mamba setup fails

  #369 opened 2 years ago by mbackenkoehler
  2

• CI: Cache the conda environment

  #376 opened 2 years ago by mbackenkoehler
  0

• Replace home directories in output by ~

  #353 opened 2 years ago by mbackenkoehler
  3

• CI: retry flaky notebooks

  #373 opened 2 years ago by mbackenkoehler
  0

• Less frequent CI runs

  #366 opened 2 years ago by mbackenkoehler
  3

• Prep 2023.05.1 & 2023.05.2 releases

  #352 opened 2 years ago by dominiquesydow
  2

• Website: Orient 3D kinase views correctly

  #372 opened 2 years ago by dominiquesydow
  1

• T020: openmm warning

  #356 opened 2 years ago by mbackenkoehler
  2

• T020: CI fails for MacOS runs

  #364 opened 2 years ago by mbackenkoehler
  5

• [DL Edition] Add datamol dependency

  #339 opened 2 years ago by mbackenkoehler
  3

• CI: New pandas formatting?

  #329 opened 2 years ago by dominiquesydow
  1

• [DL_edition] CI failure - training time out

  #370 opened 2 years ago by mbackenkoehler
  0

• Dead links

  #336 opened 2 years ago by mbackenkoehler
  5

• Molecules not showing in dataframes

  #343 opened 2 years ago by mbackenkoehler
  1

• Re-execute all notebooks with the updated environment

  #354 opened 2 years ago by mbackenkoehler
  0

• T018: Deprecation warnings and images not showing

  #334 opened 2 years ago by mbackenkoehler
  6

• dev branch: T007 does not execute

  #360 opened 2 years ago by mbackenkoehler
  3

• dev branch: T019 fails locally

  #359 opened 2 years ago by mbackenkoehler
  5

• T032: filter_explore_activity_data error

  #358 opened 2 years ago by hamzaibrahim21
  3

• [DL Edition] Black and README issues

  #337 opened 2 years ago by mbackenkoehler
  2

• Docs CI fails

  #333 opened 2 years ago by mbackenkoehler
  4

• [404] https://en.gdch.de/network-structures/divisions/computers-in-chemistry-cic.html

  #342 opened 2 years ago by hamzaibrahim21
  0