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.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