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9 Open 8 Closed
9 Open 8 Closed
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Issues list

Rename dl_chylon to dl_chylearn
#19 opened May 15, 2023 by akalikadien
1
Enhance feature importance calculation enhancement New feature or request
#18 opened May 11, 2023 by akalikadien
1
Add multiclass option for DDG classification
#17 opened Apr 28, 2023 by CValse
Add ligand representation for DFT (and descriptor calculation) with solvation enhancement New feature or request
#16 opened Apr 21, 2023 by akalikadien
@akalikadien
Create .py and notebook for new objective: ligand class specific model enhancement New feature or request
#15 opened Apr 20, 2023 by akalikadien
@akalikadien
Add sensitivity analysis to data analysis notebook enhancement New feature or request
#14 opened Apr 20, 2023 by akalikadien
@CValse
1
Try generation of rdkit fingerprint from xyz's directly instead of SMILES enhancement New feature or request
#13 opened Apr 20, 2023 by akalikadien
@akalikadien
Model agnostic ML enhancement New feature or request
#4 opened Apr 5, 2023 by akalikadien
@AdrianM0
Automated feature selection enhancement New feature or request
#2 opened Apr 5, 2023 by akalikadien
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