Avogadro is an advanced open source molecular editor designed for cross-platform use in computational chemistry, and other areas.
Read more
Tag: chemistry
PyMOL – molecular visualization system software
PyMOL is a molecular graphics system designed for real-time visualization and molecular graphics images and animations.
Read more
CP2K – atomistic simulations of solid state, liquid, molecular and biological systems
CP2K is a free and open source quantum chemistry and solid state physics software package that can perform atomistic simulations.
Read more
Open Babel – chemical toolbox software
Open Babel is a version of the Babel chemistry file translation program. Convert, analyze, or store data from molecular modeling.
Read more
Gabedit – GUI to computational chemistry packages
Gabedit is a graphical user interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC, PCGamess and Q-Chem computational chemistry packages.
Read more
Jmol – viewer for chemical structures in 3D
Jmol is a Java viewer for three-dimensional chemical structures with features for chemicals, crystals, materials and biomolecules.
Read more
Kalzium – periodic system of the elements
Kalzium is a chemistry application for KDE 5, including a Periodic Table of Elements, chemical reference, chemical equation solver, and more.
Read more
XDrawChem – molecule structure drawing
XDrawChem is a 2D editor for chemical structures and reactions. It mirrors the abilities of the commercial ChemDraw suite.
Read more
MoleQueue – abstract, manage, and coordinate the execution of tasks
MoleQueue is a C++ desktop application for abstracting, managing, and coordinating the execution of tasks.
Read more
BKChem – chemical drawing program
BKChem is a free and open source 2D molecule editor written in Python. It has a wealth of features but is simple to use.
Read more
Best Free and Open Source Software – Science
Best Free and Open Source Linux Software covering physics, chemistry, biology, mathematics, data analysis, statistics, astronomy, weather, and more.
Read more
42 of the Best Free Linux Scientific Software
To provide an insight into the quality of software that is available, we have compiled a list of 42 high quality Linux scientific applications, covering a broad spectrum of uses. There’s a mix of graphical and console based applications included. Hopefully, there will be something of interest for all types of users.
Read more