README.md

---
dataset_info:
- config_name: bindingdb_filtered
  features:
  - Index: 
    dtype: int32
  - Drug_ID:
    dtype: string
  - Drug:
    dtype: string
  - Target_ID:
    dtype: string
  - Target:
    dtype: string
  - Y:
    dtype: float32
  splits:
  - name: train
    num_examples: 24700
- config_name: CATS
  features:
  - Index: 
    dtype: int32
  - Compound ID:
    dtype: string
  - Drug:
    dtype: string
  - IC50:
    dtype: float32
  - Target:
    dtype: string
  - Y:
    dtype: float32
  splits:
  - name: train
    num_examples: 136
- config_name: HSP9
  features:
  - Index: 
    dtype: int32
  - Dataset_ID:
    dtype: string
  - Y:
    dtype: float32
  - Drug:
    dtype: string
  - Target:
    dtype: string
  splits:
  - name: train
    num_examples: 180
- config_name: leakypdb
  features:
  - Index: 
    dtype: int32
  - header:
    dtype: string
  - smiles:
    dtype: string
  - category:
    dtype: string
  - seq:
    dtype: string
  - resolution:
    dtype: float32
  - date:
    dtype: string
  - type:
    dtype: string
  - new_split:
    dtype: string
  - CL1:
    dtype: bool
  - CL2:
    dtype: bool
  - CL3:
    dtype: bool
  - remove_for_balancing_val:
    dtype: bool
  - kd/ki:
    dtype: string
  - value:
    dtype: float32
  - covalent:
    dtype: bool
  splits:
  - name: train
    num_examples: 19443
- config_name: Mpro
  features:
  - Index: 
    dtype: int32
  - Drug:
    dtype: string
  - Y:
    dtype: float32
  - Target:
    dtype: string
  splits:
  - name: train
    num_examples: 2749
configs:
- config_name: bindingdb_filtered
  data_files:
  - split: train
    path: bindingdb_filtered/train/data-*
- config_name: CATS
  data_files:
  - split: train
    path: CATS/train/data-*
- config_name: HSP9
  data_files:
  - split: train
    path: HSP9/train/data-*
- config_name: leakypdb
  data_files:
  - split: train
    path: leakypdb/train/data-*
- config_name: Mpro
  data_files:
  - split: train
    path: Mpro/train/data-*
license: cc-by-4.0
pretty_name: BALM-Benchmark
---

# Dataset Card for BALM-Benchmark

<!-- Provide a quick summary of the dataset. -->

## Dataset Details

### Dataset Description

## Citation

<!-- If there is a paper or blog post introducing the dataset, the APA and Bibtex information for that should go in this section. -->

**BibTeX:**

```

```

## Dataset Card Contact

- Rohan Gorantla ([email protected])
- Aryo Pradipta Gema ([email protected])
- Antonia Mey ()