Hugging Face's logo Hugging Face
  • Models
  • Datasets
  • Spaces
  • Buckets new
  • Docs
  • Enterprise
  • Pricing

  • Log In
  • Sign Up

Edit Datasets filters

midi-dataset
art
Synthetic
medical
code
biology
finance
legal
chemistry
agent
music
climate

Datasets

12
Full-text search
Active filters: small-molecules

molssiai-hub/pubchemqc-b3lyp

Updated Jul 22, 2025 • 3.69k • 4

molssiai-hub/pubchemqc-pm6

Updated Jul 22, 2025 • 751 • 1

molssiai-hub/pubchem-07-23-2024

Updated Jul 22, 2025 • 45 • 1

molssiai-hub/pubchem-10-15-2024

Updated Jul 22, 2025 • 379

molssiai-hub/pm7

Viewer • Updated Nov 26, 2024 • 4.62k • 30

Metanova/SAVI-2020

Updated Sep 23, 2025 • 1.08k • 2

molssiai-hub/pubchem-02-21-2025

Updated Jul 22, 2025 • 87

molssiai-hub/pubchem-04-18-2025

Preview • Updated Mar 19 • 324

molssiai-hub/liquid-electrolytes

Viewer • Updated Jul 26, 2025 • 362k • 25

Zhenghang04/DrugDiscovery_SMILES_Dataset

Updated 25 days ago • 100 • 3

aptabench-anonymous/AptaBench_dataset

Viewer • Updated 9 days ago • 6.29k • 44

tiny226/SAVI-2020-NOVA

Updated about 1 hour ago
Company
TOS Privacy About Careers
Website
Models Datasets Spaces Pricing Docs