Hugging Face's logo Hugging Face
  • Models
  • Datasets
  • Spaces
  • Buckets new
  • Docs
  • Enterprise
  • Pricing
    • Website
      • Tasks
      • HuggingChat
      • Collections
      • Languages
      • Organizations
    • Community
      • Blog
      • Posts
      • Daily Papers
      • Hardware
      • Learn
      • Discord
      • Forum
      • GitHub
    • Solutions
      • Team & Enterprise
      • Hugging Face PRO
      • Enterprise Support
      • Inference Providers
      • Inference Endpoints
      • Storage Buckets

  • Log In
  • Sign Up

Datasets:
molssiai-hub
/
pubchem-04-18-2025

Tasks:
Tabular Regression
Feature Extraction
Other
Sub-tasks:
tabular-single-column-regression
ArXiv:
Tags:
pubchem
small-molecules
InChI
SMILES
molecular-geometry
molecular-properties
DOI:
License:
Dataset card Data Studio Files Files and versions
xet
Community
2
pubchem-04-18-2025
1.7 TB
  • 3 contributors
History: 7 commits
smostafanejad's picture
smostafanejad
nielsr's picture
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
    30.4 kB
    adds the data over 1 year ago
  • README.md
    16.1 kB
    Add paper and GitHub links, update task categories (#2) 4 months ago
  • pubchem-04-18-2025.py
    20 kB
    renames the last SDF file name (bug fix) over 1 year ago