Repositories list

• multiwfn-mac-build

  Public
  A build recipe for Multiwfn on MacOS

  CMake

  •

  MIT License

  •2•23•2•0•Updated Dec 9, 2024Dec 9, 2024

• morfeus

  Public
  A Python package for calculating molecular features

  Python

  •

  MIT License

  •26•165•2•5•Updated Nov 20, 2024Nov 20, 2024

• libdlfind

  Public
  libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library

  Fortran

  •

  GNU Lesser General Public License v3.0

  •4•16•1•2•Updated Apr 6, 2024Apr 6, 2024

• homebrew-multiwfn

  Public
  A homebrew formula for Multiwfn

  Ruby

  •

  MIT License

  •4•11•1•0•Updated Jan 5, 2024Jan 5, 2024

• coulson

  Public
  Python code for Hückel and Pariser-Parr-Pople molecular orbital theory

  Python

  •

  MIT License

  •5•14•0•0•Updated Aug 28, 2023Aug 28, 2023

• .github

  Public
  0•0•0•0•Updated Apr 12, 2023Apr 12, 2023

• libconeangle

  Public
  Library for calculating exact ligand cone angles

  quantum-chemistryligandsmolecular-features

  Fortran

  •

  MIT License

  •1•12•1•0•Updated Aug 21, 2022Aug 21, 2022

• polanyi

  Public
  Transition state optimization with force fields in Python.

  Python

  •2•8•0•0•Updated Apr 3, 2022Apr 3, 2022