# BindingDB Processed Dataset

This dataset is derived from [BindingDB](https://www.bindingdb.org/rwd/bind/chemsearch/marvin/Download.jsp), specifically from `BindingDB_All_2D_202503_sdf.zip`.

The dataset creation code can be found [here](https://github.com/vladimirkovacevic/pl-llm/blob/main/prot_chem.ipynb).

---
dataset_info:
  features:
  - name: ligand
    dtype: string
  - name: protein
    dtype: string
  - name: ic50
    dtype: float64
  splits:
  - name: train
    num_bytes: 568898862
    num_examples: 972285
  - name: test
    num_bytes: 142171753
    num_examples: 243072
  download_size: 393836446
  dataset_size: 711070615
configs:
- config_name: default
  data_files:
  - split: train
    path: data/train-*
  - split: test
    path: data/test-*
---