Quantum ESPRESSO is a suite for electronic-structure calculations and materials modelling using density-functional theory, plane waves and pseudopotentials.
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Category: Scientific
OpenMD – molecular dynamics simulation engine
OpenMD is a molecular dynamics engine for simulating liquids, proteins, nanoparticles, interfaces and systems with orientational degrees of freedom.
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4 Best Free and Open Source Cheminformatics Tools
Explore the best free and open source cheminformatics tools for analysing chemical structures, compounds, reactions and molecular data.
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OpenMolcas – multiconfigurational quantum chemistry package
OpenMolcas is a quantum chemistry package centred on multiconfigurational electronic-structure methods including CASSCF and CASPT2.
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MOPAC – semiempirical quantum chemistry package
MOPAC is a semiempirical quantum chemistry package for fast molecular and materials calculations, geometry optimisation and reaction studies.
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7 Best Free and Open Source Chemical Structure Drawing Tools
Explore the best free and open source software for drawing chemical structures, molecular diagrams, reactions, and structural formulas.
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Maputnik – visual editor for MapLibre map styles
Maputnik is a visual editor for MapLibre styles with browser-based design, local editing workflows, CLI support and tooling.
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7 Best Free and Open Source Molecular Editors and Visualisation
Discover the best free and open source molecular editors for molecular modelling, visualization, chemistry and structural biology.
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Maps – map viewer designed for elementary OS
Maps is a lightweight elementary OS map viewer with place search, current-location jumping, keyboard navigation and geo URI support.
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OpenStreetBrowser – browse OpenStreetMap data by thematic category
OpenStreetBrowser is a web app for exploring OpenStreetMap data through thematic categories, overlays, object details and custom Overpass queries.
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ROSboard – lightweight web dashboard for visualizing ROS topics
ROSboard is a lightweight web dashboard for visualizing ROS topics, sensor data and robot telemetry from desktop and mobile browsers.
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12 Best Free and Open Source Linux Desktop Genome Browsers
There are numerous tools to browse genomes. While there’s considerable overlap in functionality, each software offers unique features or data.
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FacilMap – privacy-friendly collaborative OpenStreetMap web map
FacilMap is a privacy-friendly OpenStreetMap web map for place search, route planning, live collaborative maps, imports, exports and embeds.
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Vizanti – web visualizer and mission planner for ROS robots
Vizanti is a web-based ROS mission planner and visualizer for controlling outdoor robots from desktops, tablets and mobile devices.
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Periodic Table Tools: 10 Best Free and Open Source Linux Tools
The periodic table, also known as the periodic table of the elements, is a rows and columns arrangement of the chemical elements.
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Choreonoid – integrated graphical framework for robot development
Choreonoid is an extensible graphical robotics framework with model visualization, dynamics simulation, motion editing and plugin support.
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osmin – GPS navigator for on-road and off-road use
osmin is an open source GPS navigator for Android and Linux with offline maps, road routing, GPX support, tracking and POI tools.
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RTAB-Map – graph-based SLAM and 3D mapping application
RTAB-Map is a graph-based SLAM application and library for robot mapping, localization, loop closure detection and 3D map generation.
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Molsketch – 2D molecular structure editor
Molsketch is a Qt-based 2D molecular structure editor with chemical drawing tools, OpenBabel integration, and image export.
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23 Best Free and Open Source Linux Computer Algebra Systems
A computer algebra system (CAS) is mathematical software that can manipulate mathematical formulae in a way similar to the traditional manual computations of mathematicians and scientists.
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