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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Category: Scientific
pyiron_atomistics – atomistic simulation and workflow environment
pyiron_atomistics integrates atomistic simulation, job management, data storage and high-throughput computational materials workflows.
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quacc – automate quantum chemistry and materials science workflows
quacc automates quantum chemistry and materials science workflows across local systems, HPC resources and cloud infrastructure.
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gpx.studio – create and edit GPX files online
gpx.studio is an online GPX editor for creating, viewing and modifying routes, with routing, elevation, merging, splitting and map tools.
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Butlerov – 2D chemical structure editor
Butlerov is a 2D chemical structure editor for drawing molecules, editing bonds and atoms, and working with MOL and SDF files.
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9 Best Free and Open Source Travel Planners
This roundup focuses on software which act as a digital travel assistant.
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PyGPSClient – graphical GNSS and GPS testing tool
PyGPSClient is a graphical GNSS and GPS testing, configuration and diagnostic tool with NTRIP, logging, mapping and receiver support.
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Reaktoro – framework for modelling chemically reactive systems
Reaktoro models chemically reactive systems with equilibrium, kinetic and thermodynamic calculations using multiple databases.
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Coot – macromolecular model-building and crystallography toolkit
Coot is an interactive molecular graphics application for macromolecular model building, refinement, validation and cryo-EM workflows.
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pycalphad – computational thermodynamics and phase equilibria
pycalphad is a Python framework for CALPHAD thermodynamic modelling, phase equilibrium calculations and phase diagrams for materials.
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Equilipy – multicomponent multiphase equilibrium software
Equilipy performs multicomponent, multiphase equilibrium calculations using CALPHAD thermodynamic models and database sources.
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Patinae – programmable molecular visualization toolkit
Patinae is a GPU-first molecular visualization toolkit for structural analysis, scripting, publication images, notebooks and web embedding.
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28 Essential Free and Open Source LaTeX Tools – typeset beautifully
LaTeX is a document preparation system and document markup language for high-quality typesetting. We feature the best LaTeX tools.
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IDAES – process systems engineering framework
IDAES is a process systems engineering framework for modelling, simulating and optimising complex chemical and energy processes.
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CDK – cheminformatics and bioinformatics toolkit
CDK is a Java toolkit providing algorithms and data structures for cheminformatics, molecular processing and chemical informatics.
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IQmol3 – molecular editor and visualization package
IQmol3 is a molecular editor and visualization package for building molecules, analysing Q-Chem results and displaying molecular properties.
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inperiod – interactive periodic table and element reference
inperiod is a Rust periodic table with element data, trends, electron configurations, crystal structures, Chinese names and printable views.
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Periodic Table – detailed interactive chemistry reference
Periodic Table is an interactive chemistry reference with element properties, multilingual content, spectral data, nuclides, decay chains, and search.
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21 Best Free and Open Source Linux Astronomy Apps
This article focuses on selecting the best free astronomy software available for Linux.
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3D Periodic Table – visualize element properties in three dimensions
3D Periodic Table visualizes chemical element properties in three dimensions, with interactive controls for property, scale, coloring, phase, and category.
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