|
|
--- |
|
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dataset_info: |
|
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- config_name: clustered |
|
|
features: |
|
|
- name: text |
|
|
dtype: string |
|
|
- name: labels |
|
|
dtype: string |
|
|
splits: |
|
|
- name: train |
|
|
num_bytes: 392413559 |
|
|
num_examples: 1297604 |
|
|
- name: validation |
|
|
num_bytes: 3452474 |
|
|
num_examples: 11315 |
|
|
- name: test |
|
|
num_bytes: 3463001 |
|
|
num_examples: 11296 |
|
|
- name: held_out |
|
|
num_bytes: 1573513 |
|
|
num_examples: 5670 |
|
|
download_size: 153375375 |
|
|
dataset_size: 400902547 |
|
|
- config_name: large |
|
|
features: |
|
|
- name: text |
|
|
dtype: string |
|
|
- name: labels |
|
|
dtype: string |
|
|
splits: |
|
|
- name: train |
|
|
num_bytes: 408033438.0423948 |
|
|
num_examples: 1366992 |
|
|
- name: validation |
|
|
num_bytes: 4163338.478802599 |
|
|
num_examples: 13948 |
|
|
- name: test |
|
|
num_bytes: 4163338.478802599 |
|
|
num_examples: 13948 |
|
|
- name: held_out |
|
|
num_bytes: 1573513 |
|
|
num_examples: 5670 |
|
|
download_size: 165141976 |
|
|
dataset_size: 417933628.00000006 |
|
|
- config_name: standard |
|
|
features: |
|
|
- name: text |
|
|
dtype: string |
|
|
- name: labels |
|
|
dtype: string |
|
|
splits: |
|
|
- name: train |
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|
num_bytes: 413375215.0295364 |
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|
num_examples: 1384888 |
|
|
- name: validation |
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|
num_bytes: 1492449.9852317893 |
|
|
num_examples: 5000 |
|
|
- name: test |
|
|
num_bytes: 1492449.9852317893 |
|
|
num_examples: 5000 |
|
|
- name: held_out |
|
|
num_bytes: 1573513 |
|
|
num_examples: 5670 |
|
|
download_size: 165141561 |
|
|
dataset_size: 417933628.00000006 |
|
|
configs: |
|
|
- config_name: clustered |
|
|
data_files: |
|
|
- split: train |
|
|
path: clustered/train-* |
|
|
- split: validation |
|
|
path: clustered/validation-* |
|
|
- split: test |
|
|
path: clustered/test-* |
|
|
- split: held_out |
|
|
path: clustered/held_out-* |
|
|
- config_name: large |
|
|
data_files: |
|
|
- split: train |
|
|
path: large/train-* |
|
|
- split: validation |
|
|
path: large/validation-* |
|
|
- split: test |
|
|
path: large/test-* |
|
|
- split: held_out |
|
|
path: large/held_out-* |
|
|
- config_name: standard |
|
|
data_files: |
|
|
- split: train |
|
|
path: standard/train-* |
|
|
- split: validation |
|
|
path: standard/validation-* |
|
|
- split: test |
|
|
path: standard/test-* |
|
|
- split: held_out |
|
|
path: standard/held_out-* |
|
|
license: mit |
|
|
task_categories: |
|
|
- text2text-generation |
|
|
tags: |
|
|
- chemistry |
|
|
- medical |
|
|
- targetd-protein-degradation |
|
|
- protac |
|
|
--- |
|
|
|
|
|
# ✂️ PROTAC-Splitter Dataset ✂️ |
|
|
|
|
|
This Hugging-Face dataset contains the data for training and evaluating the Tranformer-based PROTAC-Splitter model. |
|
|
|
|
|
If you find this dataset useful or want to know more, please consider reading and citing the following work: |
|
|
|
|
|
``` |
|
|
@article{Ribes2025PROTACSplitter, |
|
|
title = {PROTAC‐Splitter: A Machine Learning Framework for Automated Identification of PROTAC Substructures}, |
|
|
author = {Stefano Ribes and Ranxuan Zhang and Télio Cropsal and Anders Källberg and Christian Tyrchan and Eva Nittinger and Rocío Mercado}, |
|
|
journal = {ChemRxiv}, |
|
|
year = {2025}, |
|
|
month = {Jul}, |
|
|
day = {08}, |
|
|
doi = {10.26434/chemrxiv-2025-bn1nv}, |
|
|
url = {https://chemrxiv.org/engage/chemrxiv/article-details/686670983ba0887c33677fc8}, |
|
|
license = {CC BY 4.0} |
|
|
} |
|
|
``` |
|
|
|
|
|
Additional information on the models and data can also be found at this Zenodo link: [https://zenodo.org/records/15797310](https://zenodo.org/records/15797310) |
|
|
|
|
|
## GitHub Repository 📝 |
|
|
|
|
|
The code for training and evaluation the PROTAC-Splitter models can be found at: [https://github.com/ribesstefano/PROTAC-Splitter](https://github.com/ribesstefano/PROTAC-Splitter) |
