---
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.parquet"
  - split: davis_filtered
    path: "davis-filtered.parquet"
  - split: kiba
    path: "kiba.parquet"
  - split: pdbbind_2020_combined
    path: "pdbbind-2020-combined.parquet"
  - split: pdbbind_2020_refined
    path: "pdbbind-2020-refined.parquet"
  - split: bindingdb_ic50
    path: "bindingdb-ic50.parquet"
  - split: bindingdb_ki
    path: "bindingdb-ki.parquet"
  - split: bindingdb_kd_filtered
    path: "bindingdb-kd-filtered.parquet"
  - split: bindingdb_kd
    path: "bindingdb-kd.parquet"
  - split: glaser
    path: "glaser.parquet"
---

## Data Sources
bindingdb_ic50.parquet: https://tdcommons.ai/ (tdc python package)
bindingdb_kd.parquet: https://tdcommons.ai/ (tdc python package)
bindingdb_kd_filtered.parquet: filtered manually (see standardize_data.ipynb)
bindingdb_ki.parquet: https://tdcommons.ai/ (tdc python package)
davis.parquet: https://tdcommons.ai/ (tdc python package)
davis_filtered.parquet: https://www.kaggle.com/datasets/christang0002/davis-and-kiba
kiba.parquet: https://tdcommons.ai/ (tdc python package)
pdbbind_2020_combined.parquet: https://www.pdbbind.org.cn/
pdbbind_2020_refined.parquet: https://www.pdbbind.org.cn/
glaser.parquet: https://huggingface.co/datasets/jglaser/binding_affinity