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Datasets:
jglaser
/
binding_affinity

Modalities:
Tabular
Text
Size:
1M - 10M
Tags:
molecules
chemistry
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2
binding_affinity / data /all.parquet

Commit History

  1. eliminate index

    jglaser
    94c9517

  2. convert dtype to float32⁠

    jglaser
    5a93178

  1. update datasets⁠

    jglaser
    36e04be

  1. update to most recent DBs, add split without KRAS

    jglaser
    558c2c3

  1. update dataset to only inclulde Ki/Kd (but not IC50/EC50)

    jglaser
    fad2eb6

  1. make smiles canonical

    jglaser
    9737168

  1. normalize affinities

    jglaser
    85bd2ca

  2. remove outliers

    jglaser
    5225bab

  1. add parquet file

    jglaser
    89a844e