metadata
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