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

Edit Datasets filters

thecodez
Synthetic
art
code
medical
finance
legal
biology
chemistry
agent
climate
music

Datasets

11
Full-text search
Active filters: density-functional-theory

ByteDance-Seed/THEMol

Viewer • Updated May 15 • 20.1M • 17.3k • 8

mhyeok1/ES-GMTKN55

Updated 3 days ago • 132 • 2

AethronPhantom/Materials

Viewer • Updated Jun 23, 2025 • 87k • 33

SquareHK/THEMol

Viewer • Updated May 18 • 20.1M • 1.64k

DreamLufei/invDesMobility-data

Viewer • Updated Jun 18 • 1.06k • 38

Monty28/DFTArtifactBench

Updated Aug 16 • 12

chembricks/WB96MV-ORGANIC

Updated Aug 17 • 17 • 1

muhammadhasyim/equiv_dens_ml

Updated Aug 27 • 108

DrAdrianDC/DFT-and-ML-rocksalt-oxides

Viewer • Updated Sep 3 • 336 • 54

project-14/soc-scf-trajectories

Viewer • Updated 11 days ago • 310 • 7.61k

youssefsassi/grandpa-pbe-hull-structures-20261001

Viewer • Updated 4 days ago • 5.05M • 78
Company
TOS Privacy About Careers
Website
Models Datasets Spaces Pricing Docs