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README.md
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path: "affinity-data-combined.parquet"
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- split: davis
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path: "davis.csv"
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- split:
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path: "davis-filtered.csv"
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- split: kiba
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path: "kiba.csv"
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- split:
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path: "pdbbind-2020-combined.csv"
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- split:
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path: "pdbbind-2020-refined.csv"
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- split:
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path: "bindingdb-ic50.csv"
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- split:
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path: "bindingdb-ki.csv"
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- split:
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path: "bindingdb-ki-filtered.csv"
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- split:
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path: "bindingdb-kd.csv"
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- split: glaser
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path: "glaser.csv"
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---
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## Data Sources
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davis.csv: https://tdcommons.ai/ (tdc python package)
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kiba.csv: https://tdcommons.ai/ (tdc python package)
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glaser.csv: https://huggingface.co/datasets/jglaser/binding_affinity
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path: "affinity-data-combined.parquet"
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- split: davis
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path: "davis.csv"
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- split: davis_filtered
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path: "davis-filtered.csv"
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- split: kiba
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path: "kiba.csv"
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- split: pdbbind_2020_combined
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path: "pdbbind-2020-combined.csv"
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- split: pdbbind_2020_refined
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path: "pdbbind-2020-refined.csv"
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- split: bindingdb_ic50
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path: "bindingdb-ic50.csv"
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- split: bindingdb_ki
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path: "bindingdb-ki.csv"
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- split: bindingdb_ki_filtered
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path: "bindingdb-ki-filtered.csv"
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- split: bindingdb_kd
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path: "bindingdb-kd.csv"
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- split: glaser
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path: "glaser.csv"
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---
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## Data Sources
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bindingdb_ic50.csv: https://tdcommons.ai/ (tdc python package)
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bindingdb_kd.csv: https://tdcommons.ai/ (tdc python package)
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bindingdb_kd_filtered.csv: filtered manually (see standardize_data.ipynb)
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bindingdb_ki.csv: https://tdcommons.ai/ (tdc python package)
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davis.csv: https://tdcommons.ai/ (tdc python package)
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davis_filtered.csv: https://www.kaggle.com/datasets/christang0002/davis-and-kiba
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kiba.csv: https://tdcommons.ai/ (tdc python package)
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pdbbind_2020_combined.csv: https://www.pdbbind.org.cn/
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pdbbind_2020_refined.csv: https://www.pdbbind.org.cn/
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glaser.csv: https://huggingface.co/datasets/jglaser/binding_affinity
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