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

  • Log In
  • Sign Up

Edit Datasets filters

integrated circuits
art
Synthetic
medical
code
biology
finance
legal
chemistry
agent
music
climate

Datasets

12
Full-text search
Active filters: computational-chemistry

microsoft/msr-acc-tae25

Viewer • Updated 2 days ago • 72.6k • 146 • 3

SandboxAQ/aqcat25-dataset

Viewer • Updated Oct 30, 2025 • 11.1M • 55 • 34

jablonkagroup/chempile-code

Viewer • Updated Aug 13, 2025 • 2.27M • 197 • 5

zihaojing/MuMo-Finetuning

Viewer • Updated Oct 29, 2025 • 420k • 180

entropy4energy/S4E-MatForge

Updated Dec 10, 2025 • 14

yunhengzounvidia/geomconf-rlvr

Viewer • Updated Feb 2 • 10k • 20

SZU-ADDG/ZINC-Curated

Viewer • Updated Feb 22 • 553M • 3.58k • 2

openadmet/pxr-challenge-train-test

Viewer • Updated 2 days ago • 28.7k • 2.34k • 12

SandboxAQ/aqvolt26-dataset-subset

Viewer • Updated 18 days ago • 457 • 62

introvoyz041/ZINC-Curated

Viewer • Updated Mar 25 • 553M • 3.45k

introvoyz041/pxr-challenge-train-test

Viewer • Updated 25 days ago • 28.6k • 52

Kaipengm2/CrystalX-dataset

Updated about 12 hours ago • 52
Company
TOS Privacy About Careers
Website
Models Datasets Spaces Pricing Docs