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Datasets:
Tc-43
/
SAMTOR_Novel_Target_Designs_GA-II
like
0
Modalities:
Tabular
Text
Formats:
csv
Languages:
English
Size:
< 1K
Tags:
chemistry
biology
drug-discovery
molecular-docking
de-novo-design
generative-chemistry
+ 6
Libraries:
Datasets
pandas
Polars
+ 1
License:
cc-by-4.0
Dataset card
Data Studio
Files
Files and versions
xet
Community
1
main
SAMTOR_Novel_Target_Designs_GA-II
29.4 MB
1 contributor
History:
3 commits
Tc-43
Add GA-II batch 2 (96 quinoline-core designs): 196 designs total, batch/central_heterocycle columns, sa_score; card updated with cross-generation comparison
63113cb
verified
4 days ago
structures
Add GA-II batch 2 (96 quinoline-core designs): 196 designs total, batch/central_heterocycle columns, sa_score; card updated with cross-generation comparison
4 days ago
.gitattributes
Safe
2.5 kB
initial commit
4 days ago
README.md
Safe
10.8 kB
Add GA-II batch 2 (96 quinoline-core designs): 196 designs total, batch/central_heterocycle columns, sa_score; card updated with cross-generation comparison
4 days ago
designs.csv
Safe
107 kB
Add GA-II batch 2 (96 quinoline-core designs): 196 designs total, batch/central_heterocycle columns, sa_score; card updated with cross-generation comparison
4 days ago
ligands.sdf
Safe
641 kB
Add GA-II batch 2 (96 quinoline-core designs): 196 designs total, batch/central_heterocycle columns, sa_score; card updated with cross-generation comparison
4 days ago
receptor_SAMTOR_human_model.pdb
Safe
141 kB
SAMTOR GA-II: 100 SAM-competitive de novo designs, docked complexes, interactions and ADME
4 days ago
reference_SAM_cofactor.pdb
Safe
2.28 kB
SAMTOR GA-II: 100 SAM-competitive de novo designs, docked complexes, interactions and ADME
4 days ago