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--- |
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license: mit |
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tags: |
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- binding-affinity |
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- biology |
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- chemistry |
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pretty_name: Binding Affinity |
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configs: |
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- config_name: default |
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data_files: |
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- split: train |
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path: "affinity-data-combined.parquet" |
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- split: davis |
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path: "davis.parquet" |
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- split: davis_filtered |
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path: "davis-filtered.parquet" |
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- split: kiba |
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path: "kiba.parquet" |
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- split: pdbbind_2020_combined |
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path: "pdbbind-2020-combined.parquet" |
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- split: pdbbind_2020_refined |
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path: "pdbbind-2020-refined.parquet" |
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- split: bindingdb_ic50 |
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path: "bindingdb-ic50.parquet" |
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- split: bindingdb_ki |
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path: "bindingdb-ki.parquet" |
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- split: bindingdb_kd_filtered |
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path: "bindingdb-kd-filtered.parquet" |
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- split: bindingdb_kd |
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path: "bindingdb-kd.parquet" |
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- split: glaser |
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path: "glaser.parquet" |
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--- |
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## Data Sources |
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bindingdb_ic50.parquet: https://tdcommons.ai/ (tdc python package) |
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bindingdb_kd.parquet: https://tdcommons.ai/ (tdc python package) |
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bindingdb_kd_filtered.parquet: filtered manually (see standardize_data.ipynb) |
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bindingdb_ki.parquet: https://tdcommons.ai/ (tdc python package) |
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davis.parquet: https://tdcommons.ai/ (tdc python package) |
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davis_filtered.parquet: https://www.kaggle.com/datasets/christang0002/davis-and-kiba |
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kiba.parquet: https://tdcommons.ai/ (tdc python package) |
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pdbbind_2020_combined.parquet: https://www.pdbbind.org.cn/ |
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pdbbind_2020_refined.parquet: https://www.pdbbind.org.cn/ |
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glaser.parquet: https://huggingface.co/datasets/jglaser/binding_affinity |
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