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