Hugging Face's logo Hugging Face
  • Models
  • Datasets
  • Spaces
  • Buckets
  • 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

geometric-consistency
Synthetic
art
code
finance
medical
legal
biology
chemistry
agent
climate
music
SimReady

Datasets

17
Full-text search
Active filters: molecular-generation

Metanova/SAVI-2020

Updated Sep 23, 2025 • 2.14k • 2

Franso/MolRGen

Viewer • Updated Apr 21 • 51k • 264 • 2

lianghsun/peptidomimetic-pretrain

Viewer • Updated Apr 14 • 1.46M • 40

Yukk1Zz/if3-crossdocked2020

Updated Apr 14 • 391

kohbanye/crossdocked2020

Viewer • Updated Jun 7 • 2.9M • 364

PatSnap/chemical-structure

Viewer • Updated Apr 29 • 1M • 35 • 2

MOSAIC-UCSD/MOSAIC_conditional_motif

Updated May 5 • 16

tiny226/SAVI-2020-NOVA

Updated May 14 • 500

pablovp8/PockLigGPT-training-data

Updated Jun 12 • 9

Windsao/anewomni-train-data

Updated Jul 31 • 7

CedLJH/rna-sbdd-v2

Updated Aug 17 • 242

NYCU-MLLab/Physics-Inspired-Landscape-Learning-and-Flow-Matching-data

Updated Aug 24 • 113

pregH/molcraft-zoo-data

Updated 19 days ago • 22

JJKK1212/3d-syntree-multidataset

Viewer • Updated Sep 24 • 6 • 39

maltefranke/morph-data

Updated 15 days ago • 338 • 1

harrylau/ms-gpt-18

Viewer • Updated 18 days ago • 1 • 88

cpy456/protac-water-pretraining

Updated 4 days ago • 27
Company
TOS Privacy About Careers
Website
Models Datasets Spaces Pricing Docs