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The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-based simulations with Monte Carlo methods.
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
An extremely fast Python linter and code formatter, written in Rust.
Python module for drawing and rendering beautiful atoms and molecules using Blender.
An extremely fast Python package and project manager, written in Rust.
Quantum chemistry and solid state physics software package
A new markup-based typesetting system that is powerful and easy to learn.
Fully validating pure-python CP2K input file tools including preprocessing capabilities
This software is a general purpose classical simulation package. Online documentation available at:
OpenMM is a toolkit for molecular simulation using high performance GPU code.