---
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-ki-filtered
    path: "bindingdb-ki-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