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MolecularAI
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QSARtuna
QSARtuna: QSAR model building with the optuna framework
https://molecularai.github.io/QSARtuna/
Apache License 2.0
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ImportError: cannot import name '_collect_type_vars' from 'typing' (/home/zz/anaconda3/envs/my_env_with_qsartuna/lib/python3.11/typing.py)" }
#38
mmsoda
opened
4 days ago
1
License File?
#37
dmoccia
closed
1 month ago
2
chemprop.predict_from_smiles reports error when explain is set to True
#36
ErikZhang-9762
closed
1 week ago
4
3.1.4
#35
lewismervin1
closed
1 month ago
0
Automatic naming of qsartuna-build output if not supplied by user
#34
shortydutchie
closed
1 month ago
3
Scaffold Split Not Implemented Error
#33
kc-chong
closed
4 weeks ago
5
3.1.3 Docs
#32
lewismervin1
closed
2 months ago
0
Init 3.1.3
#31
lewismervin1
closed
2 months ago
0
Installation instructions
#30
halx
closed
1 month ago
11
fix to notebook automl code
#29
lewismervin1
closed
3 months ago
0
notebook typo fix
#28
lewismervin1
closed
3 months ago
0
Init 3.1.2
#27
lewismervin1
closed
3 months ago
0
Convert trained sklearn model to QSARTuna model.
#26
JanoschMenke
closed
1 month ago
6
Is it possible to add other ML algorithms?
#25
Henrik51
closed
1 month ago
4
Update preprocess_data.ipynb
#24
sasaju
closed
3 months ago
1
Does QSARtuna Utilize GPU Resources?
#23
sasaju
closed
2 months ago
3
Output of training and testing sets
#22
kong0706
closed
4 months ago
1
Depreciate typing-extensions & inference fixes
#21
lewismervin1
closed
4 months ago
0
Init 3.1.1 docs
#20
lewismervin1
closed
4 months ago
0
Scaled descriptor fix for precomputed descriptor inference
#19
lewismervin1
closed
4 months ago
0
Init 3.1.0
#18
lewismervin1
closed
4 months ago
0
Question about adding custom descriptor calculation method
#17
hirose125
closed
4 months ago
2
Instructions to create the environment missing
#16
macneves
closed
4 months ago
2
Fix broken links in docs
#15
lewismervin1
closed
4 months ago
0
Typo in docs fixed
#14
lewismervin1
closed
4 months ago
0
doc images restored
#13
lewismervin1
closed
4 months ago
0
Docs fix
#12
lewismervin1
closed
4 months ago
0
pyproject.toml groups restored
#11
lewismervin1
closed
4 months ago
0
Update tests and docs
#10
lewismervin1
closed
4 months ago
0
Update docs for 3.1.0
#9
lewismervin1
closed
4 months ago
0
Bump 3.1.0
#8
lewismervin1
closed
4 months ago
0
PermissionError: [Errno 13] Permission denied, for 3.0.0.1 and 3.0.0 version
#7
MachineGUN001
closed
6 months ago
2
for Choosing scoring function, how to set OptimizationDirection
#6
MachineGUN001
closed
6 months ago
2
some problem occured when i initiated qsartuna in jupyter notebook
#5
luo-yujiang
closed
7 months ago
2
ChemProp classifier warnings
#4
WoutVanEynde
closed
4 months ago
8
PrecomputedDescriptorFromFile doesn't accept stereo smiles?
#3
jeremycheminf
closed
4 months ago
4
Install instruction on conda has link to AZ server failing
#2
jeremycheminf
closed
7 months ago
4
Missing files
#1
varys50
closed
8 months ago
3