Avogadro libraries provide 3D rendering, visualization, and analysis
TikZ figures for concepts in physics/chemistry/ML
Chemcrow
Fermi quantum chemistry program
A High-Level Abstraction Framework for Quantum Algorithms
FAIR Chemistry's library of machine learning methods for chemistry
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc
The electronic structure package for quantum computers
A Julia package for solving systems of polynomials
4DVAR data assimilation system using TM5
2D molecule editor
Cyclic Voltammetry Simulation Program for Research and Education
Kekule is a molecular visualization app for the 64-bit Windows
Simulate chemical processes using advanced thermodynamic models
X-Ray and Neutron Reflectivity Modeling
ShelXle is a Qt GUI for SHELXL
Java science library.
Nonlinear least squares fitting of sorption isotherms
GUI app to view Veritas, MAX IV data
The Open Source CFD Toolbox