https://github.com/sshcrack/orbital-calculator

Calculates the orbitals of molecules (webservice) and extension for pubchem is WIP
https://github.com/sshcrack/orbital-calculator

Last synced: about 1 year ago
JSON representation

Calculates the orbitals of molecules (webservice) and extension for pubchem is WIP

• Host: GitHub
• URL: https://github.com/sshcrack/orbital-calculator
• Owner: sshcrack
• Created: 2023-10-14T13:55:16.000Z (over 2 years ago)
• Default Branch: master
• Last Pushed: 2023-10-29T22:13:03.000Z (over 2 years ago)
• Last Synced: 2023-10-29T23:26:43.119Z (over 2 years ago)
• Language: TypeScript
• Size: 27.3 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

Awesome Lists containing this project

README

          
# Molecular Orbitals

Calculates molecular orbitals using ORCA.

Put all the binaries in the bin folder and just run the server