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Datasets:
Tc-43
/
SAMTOR_Novel_Target_Designs_GA-II

Tasks:
Tabular Regression
Graph Machine Learning
Other
Modalities:
Tabular
Text
Formats:
csv
Languages:
English
Size:
< 1K
Tags:
chemistry
biology
drug-discovery
molecular-docking
de-novo-design
generative-chemistry
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files
xet
 Community
1
SAMTOR_Novel_Target_Designs_GA-II / structures

Commit History

  1. Add GA-II batch 2 (96 quinoline-core designs): 196 designs total, batch/central_heterocycle columns, sa_score; card updated with cross-generation comparison

    Tc-43
    Verified signature
    63113cb

  1. SAMTOR GA-II: 100 SAM-competitive de novo designs, docked complexes, interactions and ADME

    Tc-43
    Verified signature
    1f3018e