Qbics-MolStar

Introduction

Qbics-MolStar is a modern web-based, open-source toolkit for edit and visualization of molecule and wavefunctions.

Libraries

Qbics-MolStar is built mainly based on Mol*, and in the backend several other programs are used:

  • Multiwfn for wavefunction analysis

  • pdbtop for molecule topology generation

  • ffmpeg for video generation

  • OpenBabel for molecule format conversion

  • MolKit offers various utilities and modules to transfer MOs among various quantum chemistry software packages

  • MAPEL for machine learning force fields

  • Ketcher for molecule drawing