Keep Calm and Read the Friendly Manual :-)
InvisibleJim
Description:
Puter is an open-source internet operating system that functions as a personal cloud, web platform, and remote desktop environment. It’s designed to be fast, extensible, and self-hostable, providing a secure, accessible space for files, apps, and games with community support.
Description:
An open-source web-based tool by the World Bank for editing, validating, and managing metadata for various data types including microdata, publications, reports, indicators, geospatial data, images, videos, and research projects.
Description:
Tomviz is an open-source software for 3D data visualization and analysis, particularly tailored for tomography and electron microscopy applications.
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.
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.
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.
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.
Description:
CP2K is a free, open-source molecular dynamics software package to perform atomistic simulations of solid state, liquid, molecular, and biological systems.
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.
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.