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ersilia-os
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zaira-chem
Automated QSAR based on multiple small molecule descriptors
GNU General Public License v3.0
27
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Unclosed File
#44
GemmaTuron
opened
3 months ago
3
Run ZairaChem end to end
#43
GemmaTuron
closed
4 months ago
7
Mordred (eos78ao) output formatting issue
#42
JHlozek
closed
2 months ago
23
ZairaChem fresh installation troubleshooting
#41
GemmaTuron
closed
5 months ago
10
Remove Git LFS files
#40
GemmaTuron
closed
3 months ago
4
Classifier identified as regressor
#39
GemmaTuron
closed
3 months ago
11
Use Python=3.10
#38
HellenNamulinda
closed
5 months ago
2
Umap Learn dependency issue
#37
GemmaTuron
opened
6 months ago
18
eos3cf4 Descriptors failing in Docker
#36
GemmaTuron
closed
5 months ago
7
Model interpretability roadmap
#35
miquelduranfrigola
opened
7 months ago
16
Add citation in README file
#34
miquelduranfrigola
closed
5 months ago
1
A4-fitting canvas
#33
miquelduranfrigola
opened
9 months ago
0
Distilled ZairaChem models in ONNX format
#32
miquelduranfrigola
opened
9 months ago
15
Adapt ZairaChem to regression tasks
#31
miquelduranfrigola
opened
9 months ago
3
Refactor ZairaChem modules to Ersilia Model Hub components
#30
miquelduranfrigola
opened
9 months ago
2
Update README.md publication link
#29
JHlozek
closed
10 months ago
0
Update lazyqsar version install
#28
JHlozek
closed
10 months ago
0
zairachem fit with example data errors: TypeError: object of type 'NoneType' has no len()
#27
sooheon
closed
3 months ago
5
Fitting Models to New Data Fails
#26
gdreiman-insitro
closed
10 months ago
2
installation failure
#25
sistar2020
closed
5 months ago
5
ZairaChem v1
#24
GemmaTuron
closed
1 year ago
0
Anonymizer
#23
GemmaTuron
closed
1 year ago
0
Anonymization of models for deployment
#22
GemmaTuron
closed
1 year ago
2
Improving ZariaChem's Documentation
#21
Femme-js
closed
1 year ago
0
Memory error in grover embedding
#20
marcostorrework
opened
1 year ago
0
Errors running zariachem on local environment
#19
paulinebanye
closed
1 year ago
0
Documentation
#18
nataliyah123
closed
1 year ago
2
split command creates shell script run_fit_predict.sh
#17
marcostorrework
closed
1 year ago
0
Isaura python version mismatch
#16
JHlozek
closed
1 year ago
1
Stylia import small bugfix
#15
GemmaTuron
closed
1 year ago
1
Option for quick fit of a basic model
#14
marcostorrework
closed
1 year ago
2
Error messages when running zairachem without GPU (usability issue)
#13
marcostorrework
opened
1 year ago
1
New command "split" to create input datasets for k-fold cross-validation
#12
marcostorrework
closed
1 year ago
2
Calculating descriptors in large datasets
#11
GemmaTuron
closed
1 year ago
1
Classification predictor fails when passing regression results
#10
GemmaTuron
closed
1 year ago
3
Empty individual descriptors during training
#9
JHlozek
closed
1 year ago
2
Check correctness of data preparation at setup
#8
miquelduranfrigola
closed
2 years ago
0
Incompatible SMILES with Mellody
#7
JHlozek
closed
2 years ago
1
`install_linux.sh` script is not working for m1 mac.
#6
leoank
closed
2 years ago
4
Hard coded paths
#5
GemmaTuron
closed
2 years ago
1
Tmp file elimination
#4
GemmaTuron
opened
2 years ago
3
Minimum number of molecules
#3
GemmaTuron
opened
2 years ago
3
Column headers
#2
GemmaTuron
opened
2 years ago
2
Training large datasets (umap issue?)
#1
JHlozek
closed
2 years ago
5