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ersilia-os
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xai4chem
GNU General Public License v3.0
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Save test results and shapley values as csv,
#13
HellenNamulinda
closed
7 hours ago
0
Make the explain module independent of the regressor.
#12
HellenNamulinda
closed
1 month ago
0
Add K-Feature Selection, Zero-Shot Automl and Morgan Fingerprint Features
#11
HellenNamulinda
closed
1 month ago
0
Add Option of Feature Selection to the Regressor
#10
HellenNamulinda
closed
2 months ago
0
Edit Code, Add RDKit and Mordred Descriptors
#9
HellenNamulinda
closed
2 months ago
0
Update ReadME.md with installation and usage instructions, and code improvements
#8
HellenNamulinda
closed
3 months ago
0
Applying Shapley Value Analysis: Visualization Plots and Number of Features to Consider
#7
HellenNamulinda
opened
3 months ago
3
Add regressor with option for XGBoost or CatBoost
#6
HellenNamulinda
closed
3 months ago
2
Calculate molecular descriptors using datamol
#5
HellenNamulinda
closed
4 months ago
1
MMV dataset, privacy preserving
#4
miquelduranfrigola
closed
4 months ago
1
Create a class to calculate molecular descriptors using `fit` and `transform` logic
#3
miquelduranfrigola
closed
1 month ago
7
Setup Project Structure
#2
HellenNamulinda
closed
4 months ago
0
Use a Python package boilerplate
#1
miquelduranfrigola
closed
4 months ago
5