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

  • Log In
  • Sign Up

Spaces:
smitathkr1
/
rdkit_api
Runtime error

App Files Files Community
Fetching metadata from the HF Docker repository...
rdkit_api
21.2 kB
Ctrl+K
Ctrl+K
  • 3 contributors
History: 47 commits
Vaishnav14220
Simplify to HOMO orbital visualization using Hartree-Fock for faster computation
fb7d531 6 months ago
  • .gitattributes
    1.52 kB
    initial commit 6 months ago
  • README.md
    1.06 kB
    Upload README.md with huggingface_hub 6 months ago
  • app.py
    18.5 kB
    Simplify to HOMO orbital visualization using Hartree-Fock for faster computation 6 months ago
  • force_rebuild.txt
    15 Bytes
    Upload force_rebuild.txt with huggingface_hub 6 months ago
  • requirements.txt
    111 Bytes
    Implement real quantum orbitals using PySCF - Natural Atomic Orbitals with DFT/B3LYP 6 months ago