Description:
Focus stacking application for microscopy and macro photography with interactive GUI and Python API. Features batch processing, image alignment, and retouching tools for computational imaging workflows.
Scientific and Engineering
Tomviz
Description:
Tomviz is an open-source software for 3D data visualization and analysis, particularly tailored for tomography and electron microscopy applications.
Psi4
Description:
Psi4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of molecular properties. We routinely perform computations with >2500 basis functions on multi-core machines.
With computationally demanding portions written in C++, exports of many C++ classes into Python via Pybind11, and a flexible Python driver, Psi4 strives to be friendly to both users and developers.
NWChem
Description:
NWChem is an open-source software for computational chemistry, focusing on molecular simulations and quantum chemistry calculations. It is designed for high-performance molecular simulations.
PyMOL
Description:
PyMOL is an open-source molecular visualization system known for 3D visualization of biomolecules such as proteins and nucleotides. It is widely used in structural biology and computational chemistry for rendering high-quality images and animations of molecular structures.
LAMMPS
Description:
LAMMPS is a classical molecular dynamics simulation code designed to run efficiently on parallel computers. It was developed at Sandia National Laboratories, a US Department of Energy facility, with funding from the DOE. It is an open-source code, distributed freely under the terms of the GNU Public License (GPL) version 2.
CP2K
Description:
CP2K is a free, open-source molecular dynamics software package to perform atomistic simulations of solid state, liquid, molecular, and biological systems.
Avogadro
Description:
Avogadro is a free, open source molecular editor and visualization tool suitable for students and researchers. It supports molecules, crystals, biomolecules, and surfaces, offering a sleek, intuitive interface with advanced 3D rendering. It is widely used in computational chemistry, molecular modeling, and education, and is highly extendable through plugins.
OpenMM
Description:
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes.
Gabedit
Description:
Gabedit is a graphical user interface for computational chemistry software. It simplifies the process of setting up and analyzing molecular calculations, making quantum chemistry accessible and user-friendly.