Datasets:

BALM
/

BALM-benchmark

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Tags:

protein-ligand binding affinity

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Dataset card Data Studio Files Files and versions

aryopg commited on Sep 11, 2024

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a7caa63

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1 Parent(s): 87abb6c

Update README.md

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@@ -23,8 +23,6 @@ dataset_info:
     dtype: string
   - name: Drug
     dtype: string
-  - name: IC50
-    dtype: float32
   - name: Target
     dtype: string
   - name: Y
@@ -226,7 +224,6 @@ BALM-Benchmark is a comprehensive benchmark suite that combines multiple seminal
 - **CATS**:
     - **Index** (`string`): Index of the ligand-target pair.
     - **Drug** (`string`): Ligand sequence (i.e., SMILES string).
-    - **IC50** (`float32`): binding affinity value in IC50.
     - **Target** (`string`): Protein sequence (i.e., sequence of amino acids).
     - **Y** (`float32`): binding affinity value in pKd.
 - **HIF2A**:

     dtype: string
   - name: Drug
     dtype: string
   - name: Target
     dtype: string
   - name: Y
 - **CATS**:
     - **Index** (`string`): Index of the ligand-target pair.
     - **Drug** (`string`): Ligand sequence (i.e., SMILES string).
     - **Target** (`string`): Protein sequence (i.e., sequence of amino acids).
     - **Y** (`float32`): binding affinity value in pKd.
 - **HIF2A**: