yangwangmadrid/EzReson

An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.

Language: Python - Size: 4.71 MB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 20 - Forks: 1

partridgejiang/Kekule-React

React component wrapper for Kekule.js widgets.

Language: JavaScript - Size: 312 KB - Last synced at: about 2 months ago - Pushed at: over 2 years ago - Stars: 6 - Forks: 2

ashwanirathee/ChemDesk

NewYear New Hack 2021:Organic Chemistry ChemoInformatics Website made with kekule,molvecPubChemPy

Language: JavaScript - Size: 11 MB - Last synced at: about 23 hours ago - Pushed at: almost 3 years ago - Stars: 4 - Forks: 3

LiaTemplates/KekuleJS

Implementation of KekuleJS in LiaScript

Language: JavaScript - Size: 3.66 MB - Last synced at: 3 months ago - Pushed at: over 1 year ago - Stars: 3 - Forks: 0

Mayank-MP05/molequilizer

Language: JavaScript - Size: 8.07 MB - Last synced at: about 1 year ago - Pushed at: almost 4 years ago - Stars: 2 - Forks: 1

partridgejiang/Kekule-Vue

Vue component wrapper of Kekule widgets

Language: JavaScript - Size: 67.4 KB - Last synced at: about 2 months ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 1