ccinput
github.com/cyllab/ccinputA tool and library for creating quantum chemistry input files.
Sourced from
- Awesome Python Chemistry — github.com/cyllab/ccinput
- GitHub — github.com/cyllab/ccinput
Related resources
Psi4-based reference implementations and Jupyter notebook-based tutorials for foundational quantum chemistry methods.
Quantum chemisttry web platform that brings all the necessary tools to perform quantum chemistry in a user-friendly web interface.
Molecular dynamics analysis
A module for solving and visualizing the Schrödinger equation.
Open Drug Discovery Toolkit, a modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc.
Parsers and algorithms for computational chemistry logfiles.