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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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T010: AttributeError: module 'Bio' has no attribute 'Alphabet'
#321
Debojyoti91
closed
1 year ago
2
[DL Edition] T035: SMILES based property prediction
#320
azmtag
closed
1 year ago
2
New TeachOpenCADD email address
#319
dominiquesydow
closed
1 year ago
2
Note: T032 not available under Windows
#318
dominiquesydow
opened
1 year ago
1
README: Link to new website pages
#317
dominiquesydow
closed
1 year ago
0
Docs: Include new website links
#316
dominiquesydow
closed
1 year ago
0
Update TeachOpenCADD website (docs) and repo README
#315
dominiquesydow
closed
1 year ago
1
[DL Edition] T033: Molecular representations
#314
gerritgr
closed
1 year ago
1
Note: T019 not available under Windows
#313
dominiquesydow
opened
1 year ago
0
Prepare 2022.09.1 release
#312
dominiquesydow
closed
1 year ago
0
Note: Profiling durations of notebook cell executions
#311
dominiquesydow
opened
1 year ago
4
JLab throws "No module named 'jsonschema.protocols'"
#310
dominiquesydow
closed
1 year ago
3
T021/22: Run under global environment
#309
dominiquesydow
closed
1 year ago
1
T019: Fix "No template found for residue 444 (03P)"
#308
dominiquesydow
closed
1 year ago
5
T019: ValueError: No template found for residue 444 (03P)
#307
dominiquesydow
closed
1 year ago
2
T019: Fix atom unit conversion
#306
dominiquesydow
closed
1 year ago
1
T008: Remove from CI in Jan 2023
#305
dominiquesydow
closed
1 year ago
1
T018: Remove nbval check for complex cell output
#304
dominiquesydow
closed
1 year ago
1
T008: Ligand Expo website will be down Jan 1-31
#303
dominiquesydow
closed
1 year ago
2
T023/25/26: ImportError: cannot import name 'ParamSpec' from 'typing_extensions'
#302
dominiquesydow
closed
1 year ago
1
Docs: Add more MacOS/M1 install instructions
#301
dominiquesydow
closed
1 year ago
0
T018: Sometimes shows differing DoG URLs
#300
dominiquesydow
closed
1 year ago
0
T008/10/15/16/18/20: AttributeError: module 'numpy' has no attribute 'typeDict'
#299
dominiquesydow
closed
1 year ago
0
T019: AttributeError: 'numpy.ndarray' object has no attribute 'unit'
#298
dominiquesydow
closed
1 year ago
0
T011/12: Remove pinned `jsonschema` from env
#297
dominiquesydow
closed
1 year ago
0
Base branch for CI/env fixes
#296
dominiquesydow
closed
1 year ago
2
Docs: Update TeachOpenCADD citations
#295
dominiquesydow
closed
1 year ago
1
T008/10/15/16/18/20: AttributeError: module 'numpy' has no attribute 'typeDict'
#294
dominiquesydow
closed
1 year ago
0
README: Fix broken anaconda badge/link
#293
dominiquesydow
closed
1 year ago
1
[DOCS] Added Jupyter Notebook tutorial
#291
Telomelonia
closed
1 year ago
1
[DL Edition] T038: Protein Ligand Interaction Prediction
#290
Old-Shatterhand
closed
1 year ago
5
T022: Missing import GetMorganFingerprintAsBitVect
#289
mbackenkoehler
closed
1 year ago
2
[DL Edition] T037: E3 equivariant GNNs
#288
joschka-gross
closed
1 year ago
2
[DL Edition] T034: GNN based molecular property prediction
#287
PaulaKramer
closed
1 year ago
2
[DL Edition] T036: Uncertainty estimation
#286
mbackenkoehler
closed
1 year ago
2
[2023.05.2-base] DL edition
#285
AndreaVolkamer
closed
1 year ago
7
deep learning env
#284
gerritgr
closed
1 year ago
1
Reminder: Remove pin for `ipywidgets>8`
#282
dominiquesydow
opened
1 year ago
0
Split CI into all/changed talktorials
#281
dominiquesydow
closed
1 year ago
2
Talktorial T007: QSAR
#280
gorostiolam
opened
1 year ago
0
T003: mols2grid example added
#279
e-mayo
opened
1 year ago
9
T032: Compound activity: Proteochemometrics
#278
gorostiolam
opened
1 year ago
20
Extend PR template (for new talktorials)
#276
dominiquesydow
closed
1 year ago
1
New talktorial on PCM: Notes from first conversation
#275
dominiquesydow
opened
1 year ago
0
Add TeachOpenCADD contribution guide
#274
dominiquesydow
closed
1 year ago
2
Update TeachOpenCADD citations
#273
dominiquesydow
closed
1 year ago
0
README: Update Zenodo badge
#272
dominiquesydow
closed
2 years ago
1
CI: Revert Win Py3.9 back to Py3.8; pin `tensorflow`<=2.6
#267
dominiquesydow
closed
2 years ago
2
README: Add TOC-kinase topics to main png
#266
dominiquesydow
closed
2 years ago
1
T021/22: Deprecated `tensorflow` imports?
#265
dominiquesydow
closed
1 year ago
2
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