Datasets:
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---
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 () |