linfei-mise commited on
Commit ·
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Parent(s): 80b7184
Add YAML metadata to README.md for Hugging Face compatibility
Browse files
README.md
CHANGED
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@@ -1,3 +1,65 @@
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| 1 |
# ToxiMol: A Benchmark for Structure-Level Molecular Detoxification
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| 3 |
[](https://arxiv.org)
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---
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license: mit
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task_categories:
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- other
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task_ids:
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- other
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multilinguality:
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- monolingual
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size_categories:
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- 1K<n<10K
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source_datasets:
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- original
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language:
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- en
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tags:
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- chemistry
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- toxicity
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- molecular-design
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- SMILES
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- drug-discovery
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- benchmark
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- multimodal
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- structure-activity-relationship
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pretty_name: "ToxiMol: A Benchmark for Structure-Level Molecular Detoxification"
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dataset_info:
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features:
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- name: task
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dtype: string
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- name: id
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dtype: int64
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- name: smiles
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dtype: string
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- name: image_path
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dtype: string
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splits:
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- name: test
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num_examples: 560
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configs:
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- config_name: ames
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data_files: "ames/*"
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- config_name: carcinogens_lagunin
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data_files: "carcinogens_lagunin/*"
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- config_name: clintox
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data_files: "clintox/*"
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- config_name: dili
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data_files: "dili/*"
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- config_name: herg
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data_files: "herg/*"
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- config_name: herg_central
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data_files: "herg_central/*"
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- config_name: herg_karim
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data_files: "herg_karim/*"
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- config_name: ld50_zhu
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data_files: "ld50_zhu/*"
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- config_name: skin_reaction
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data_files: "skin_reaction/*"
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- config_name: tox21
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data_files: "tox21/*"
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- config_name: toxcast
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data_files: "toxcast/*"
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---
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# ToxiMol: A Benchmark for Structure-Level Molecular Detoxification
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[](https://arxiv.org)
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