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volkamerlab
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teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
https://projects.volkamerlab.org/teachopencadd
Creative Commons Attribution 4.0 International
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Update links to KNIME workflows
#418
stelfrich
closed
4 days ago
1
Separate environments
#417
mbackenkoehler
opened
4 months ago
1
Separate environment for T018
#416
AAriam
closed
4 months ago
2
Separate environments for each talktorial
#415
mbackenkoehler
closed
4 months ago
5
Re-execute T006
#414
mbackenkoehler
closed
5 months ago
1
CI: T006 output fail
#413
mbackenkoehler
opened
6 months ago
0
CI: `black` fails
#412
mbackenkoehler
opened
6 months ago
2
fix mamba install link, openbabel links
#411
mbackenkoehler
closed
6 months ago
1
Broken docs links
#410
mbackenkoehler
closed
6 months ago
0
Pin all dependencies
#409
mbackenkoehler
closed
5 months ago
0
corrected order of legend labels in radar plots
#408
RobertArbon
closed
7 months ago
2
T024: Pandas/jinja import error
#407
mbackenkoehler
opened
8 months ago
1
T011: Wikipedia scraping fails
#406
mbackenkoehler
opened
8 months ago
0
T001: Pandas deprecation warnings
#405
mbackenkoehler
opened
8 months ago
1
T010: Changed REST API
#404
mbackenkoehler
opened
8 months ago
0
T019 · Molecular dynamics simulation - problems installing dependencies in Colab
#403
dimkorov
opened
8 months ago
0
T008 - module 'Bio' has no attribute 'Alphabet
#402
Ash100
opened
9 months ago
5
teachopencadd.utils error not found
#401
arya-blip
closed
5 months ago
2
T020: Problem with RMSD Calculation for Resname 03P
#400
chinge55
opened
1 year ago
0
Install docs: add a note about missing dl packages
#399
mbackenkoehler
closed
1 year ago
0
Environment package ordering
#398
mbackenkoehler
closed
1 year ago
1
New talktorial: Molecular Transformer
#397
PaulaKramer
opened
1 year ago
0
[DL Edition] Add thumbnails
#396
PaulaKramer
closed
1 year ago
4
[2023.05.2] Post-release fixes and tweaks
#395
mbackenkoehler
closed
1 year ago
1
Dev pytorch from forge
#394
Old-Shatterhand
opened
1 year ago
3
[DL Edition] Changes in author information
#393
PaulaKramer
closed
1 year ago
2
Refer to nextAID in the new talktorials
#392
AndreaVolkamer
closed
1 year ago
2
'no thumb nail' warning on website
#391
AndreaVolkamer
closed
1 year ago
1
Conda packaging: env failure
#390
dominiquesydow
opened
1 year ago
6
Env: Package ordering
#389
dominiquesydow
opened
1 year ago
0
Docs CI: reactivate link checker
#387
mbackenkoehler
closed
1 year ago
0
Strategy for data set handling in ML notebooks
#386
mbackenkoehler
opened
1 year ago
0
T018: CI fail
#385
mbackenkoehler
opened
1 year ago
0
[DL edition] Website update
#384
PaulaKramer
closed
1 year ago
1
Fix: Added square root to make talktutorial 20 RMSD. Currently it's MSD.
#383
jaketanderson
closed
1 year ago
1
Docs CI: ignore some 403 in linkcheck
#382
mbackenkoehler
closed
1 year ago
1
[DL Edition] Add missing thumbnail for T038
#381
mbackenkoehler
closed
1 year ago
1
369 dl edition windows ci mamba setup fails
#380
mbackenkoehler
closed
1 year ago
1
[DL Edition] New talktorials in collection for website
#379
PaulaKramer
closed
1 year ago
2
[DL Edition] ignore unresponsive sites
#378
mbackenkoehler
closed
1 year ago
0
Nblink files for DL edition
#377
PaulaKramer
closed
1 year ago
2
CI: Cache the conda environment
#376
mbackenkoehler
opened
1 year ago
0
[CI] Add automatic retries for failed notebooks
#375
mbackenkoehler
closed
4 months ago
0
[CI] Increase cell timeout
#374
mbackenkoehler
closed
4 months ago
1
CI: retry flaky notebooks
#373
mbackenkoehler
opened
1 year ago
0
Website: Orient 3D kinase views correctly
#372
dominiquesydow
opened
1 year ago
1
[DL_edition] CI failure - training time out
#370
mbackenkoehler
opened
1 year ago
0
[DL_edition] Windows CI mamba setup fails
#369
mbackenkoehler
opened
1 year ago
2
[2023.05.2-base] DL_edition release prep
#368
mbackenkoehler
closed
1 year ago
1
CI: bi-weekly instead of weekly CI runs
#367
mbackenkoehler
closed
1 year ago
0
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