GPAW provides density-functional theory calculations based on the projector-augmented wave method and the Atomic Simulation Environment.
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Category: Scientific
DFTB+ – general package for performing fast atomistic calculations
DFTB+ is a fast quantum mechanical atomistic simulation package based on the Density Functional Tight Binding method.
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PySCF – quantum chemistry framework
PySCF is a mature quantum chemistry framework that combines a high-level Python interface with performance-critical compiled code.
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Indigo – universal cheminformatics toolkit
Indigo is a universal cheminformatics toolkit for working with molecules and reactions.
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RDKit – cheminformatics and machine-learning software
RDKit is a cheminformatics toolkit that helps users work with molecular structures, chemical data, and machine-learning workflows.
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Ketcher – web-based chemical structure editor
Ketcher is a web-based chemical structure editor for drawing small molecules, biomolecules, and chemical reactions in a browser.
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11 Best Free and Open Source Linux Robotics Software
Robotics is the branch of artificial intelligence concerned with the study of robots. We recommend the best robotics software for Linux.
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14 Best Free and Open Source Linux Mapping Tools
This roundup includes mapping software which offers quick access to maps all across the world. We also include some specialised tools.
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MoveIt 2 – robotic manipulation platform for ROS 2
MoveIt 2 is a robotic manipulation platform for ROS 2 designed for building, prototyping, and benchmarking robot applications.
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ROS 2 – software framework for building robot applications
ROS 2 is a software framework for building robot applications, offering libraries, tools, and core infrastructure.
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Merkaartor – OpenStreetMap mapping program
Merkaartor is a native desktop editor for OpenStreetMap written in C++ and Qt.
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uMap – web application for creating and publishing custom interactive maps
uMap is a web application for creating and publishing custom interactive maps based on OpenStreetMap layers.
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Pure Maps – native map and navigation application for Linux
Pure Maps is a native map and navigation application for Linux that’s aimed particularly at mobile Linux platforms.
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17 Best Free and Open Source Linux GPS Tools
The Global Positioning System (GPS) is a satellite-based navigation satellite system consisting of a network of satellites.
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CME Tracker – tracks Continuing Medical Education credits
CMETracker is a desktop application that helps a physician keep a local record of Continuing Medical Education (CME) credits.
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Map – Linux Wardley map editor
Map is a Linux Wardley map editor that turns a compact plain text notation into visual strategy maps.
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CoMaps – community-led maps and navigation application
CoMaps is a community-led maps and navigation application built around OpenStreetMap data.
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JGEX – construct, explore and prove geometry theorems
Java Geometry Expert, also known as JGEX, is a Java application for constructing, exploring, and proving geometry theorems.
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OMERewriter – edit common fields in OME-TIFF files
OMERewriter is a desktop application for microscopy imaging workflows that focuses on working with OME-TIFF metadata.
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Periodic Table Tools: 7 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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