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
Simulate chemical processes using advanced thermodynamic models
X-Ray and Neutron Reflectivity Modeling
Management and Analyzis of Gaussian Calculations
ShelXle is a Qt GUI for SHELXL
Weather Forescast Model with chemistry, aerosols and transport .
Java science library.
The Open Source CFD Toolbox