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Datasets:
molssiai-hub
/
pubchem-04-18-2025
like
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MolSSI AI Hub
12
Tasks:
Tabular Regression
Feature Extraction
Other
Sub-tasks:
tabular-single-column-regression
ArXiv:
arxiv:
2603.13627
Tags:
pubchem
small-molecules
InChI
SMILES
molecular-geometry
molecular-properties
+ 2
DOI:
doi:10.57967/hf/8495
License:
pddl
Dataset card
Data Studio
Files
Files and versions
xet
Community
2
d0dacba
pubchem-04-18-2025
1.7 TB
3 contributors
History:
7 commits
smostafanejad
nielsr
HF Staff
Add paper and GitHub links, update task categories (
#2
)
d0dacba
4 months ago
data
adds the data
over 1 year ago
.gitattributes
Safe
30.4 kB
adds the data
over 1 year ago
README.md
Safe
16.1 kB
Add paper and GitHub links, update task categories (#2)
4 months ago
pubchem-04-18-2025.py
Safe
20 kB
renames the last SDF file name (bug fix)
over 1 year ago