Hugging Face's logo

Datasets:
jglaser
/
binding_affinity

Modalities:
Tabular
Text
Size:
1M - 10M
Tags:
molecules
chemistry
SMILES
Libraries:
Datasets
Dataset card Data Studio Files
xet
 Community
2
binding_affinity

Commit History

  1. Delete old duckdb index files

    parquet-converter
    Verified signature
    e3c4f62

  1. Update duckdb index files

    parquet-converter
    2581b32

  2. Update duckdb index files

    parquet-converter
    f3e1e53

  3. Update duckdb index files

    parquet-converter
    1218aaf

  1. Update duckdb index files

    parquet-converter
    116a932

  2. Update parquet files

    parquet-converter
    f3749c4

  1. Update duckdb index files

    parquet-converter
    1bb69b7

  2. Update duckdb index files

    parquet-converter
    061fcf4

  3. Update duckdb index files

    parquet-converter
    7494e2b

  4. Update parquet files

    parquet-converter
    d4fb1f4

  1. Update duckdb index files

    parquet-converter
    f04ee81

  2. Update duckdb index files

    parquet-converter
    e726338

  3. Update duckdb index files

    parquet-converter
    288e96b

  1. Update parquet files

    parquet-converter
    939ed2b

  1. Update duckdb index files

    parquet-converter
    a217ba2

  1. Update duckdb index files

    parquet-converter
    7b22b85

  1. Update parquet files

    parquet-converter
    609b064

  1. Update duckdb index files

    parquet-converter
    38c68bc

  1. Update parquet files

    parquet-converter
    459148f

  1. Update parquet files

    parquet-converter
    488b4b7

  1. Update parquet files

    parquet-converter
    388259c

  1. parse contact matrices from PDBbind and store in chunks

    jglaser
    11e49b7

  1. remove hack

    jglaser
    8ffbe2c

  2. fix version number

    jglaser
    1c3a7be

  3. eliminate index

    jglaser
    94c9517

  4. convert dtype to float32⁠

    jglaser
    5a93178

  1. update notebooks

    jglaser
    75e835a

  2. update datasets⁠

    jglaser
    36e04be

  1. fix typo

    jglaser
    8f150cc

  2. add covalent inhibitors split

    jglaser
    7aad16b

  1. add dataset with maximum sequence length 512

    jglaser
    fd1b48a

  1. really remove all KRAS proteins

    jglaser
    7fffd73

  1. fix skip download feature

    jglaser
    5680ee8

  2. enable offline mode

    jglaser
    88fe72c

  3. fix dataset loading script

    jglaser
    db83314

  1. add to README

    jglaser
    a18b94f

  2. update README

    jglaser
    a6bc330

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

    jglaser
    558c2c3

  1. add IC50 values back

    jglaser
    d7c19d0

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

    jglaser
    fad2eb6

  1. make smiles canonical

    jglaser
    9737168

  1. update deepcoy DUDE predictions⁠

    jglaser
    91dc8a9

  1. update predictions for D-COID and deepcoy/DEKOIS⁠

    jglaser
    c066e7c

  1. update .gitattributes

    jglaser
    3b0188e

  2. add deepcoy DEKOIS and DUDE predictions

    jglaser
    fe94b5c

  1. add RF2 scoring for testing

    jglaser
    0a05de5

  1. add D-COID data set

    jglaser
    d802ce7

  2. update predictions

    jglaser
    acf20bc

  1. add DUDE predictions

    jglaser
    87404f2

  2. split DUD-E into smaller partitions

    jglaser
    7e5a878