Hugging Face
Models
Datasets
Spaces
Buckets
new
Docs
Enterprise
Pricing
Website
Tasks
HuggingChat
Collections
Languages
Organizations
Community
Blog
Posts
Daily Papers
Learn
Discord
Forum
GitHub
Solutions
Team & Enterprise
Hugging Face PRO
Enterprise Support
Inference Providers
Inference Endpoints
Storage Buckets
Log In
Sign Up
Datasets:
HydroSophyTech
/
ToxiMol-benchmark
like
2
Follow
HydroSophy
5
Tasks:
Tabular Classification
Tabular Regression
Modalities:
Text
Formats:
parquet
Sub-tasks:
multi-class-classification
tabular-single-column-regression
Languages:
English
Size:
< 1K
ArXiv:
arxiv:
2506.10912
Tags:
chemistry
toxicity
molecular-design
SMILES
drug-discovery
benchmark
+ 2
DOI:
doi:10.57967/hf/8919
Libraries:
Datasets
Dask
Polars
+ 1
License:
mit
Dataset card
Data Studio
Files
Files and versions
xet
Community
1
main
ToxiMol-benchmark
/
dili
Commit History
Update dataset to 660 molecules (60 per task)
b2e2e77
DeepYoke
commited on
Jan 24
Delete dili/1.py
94bf572
verified
Cusyoung
commited on
Jun 13, 2025
Upload dili.parquet
c34a16e
verified
Cusyoung
commited on
Jun 13, 2025
init
23f0feb
Cusyoung
commited on
Jun 13, 2025
Delete dili/1.py
7fa1440
verified
Cusyoung
commited on
Jun 13, 2025
update
b46958d
Cusyoung
commited on
Jun 13, 2025
Delete dili
6edb699
verified
Cusyoung
commited on
Jun 13, 2025
Upload ToxiMol dataset
27169b2
linfei-mise
commited on
May 31, 2025