Chemistry
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Welcome to the
Chemistry
App/Package
Abstract
Addition or Link
CheMPS2
Spin-adapted implementation of DMRG for ab initio quantum chemistry
Jmol
Java 3D viewer for chemical structures
MolScript
Display 3D molecules in schematic and detailed representations
atom-chemistry
Program for DFT calculations in atoms
avogadro2
Chemical editor and visualization application
avogadrolibs
Avogadro2 libraries for chemical editor and visualization applications
bagel
Brilliantly Advanced General Electronic-structure Library
bodr
Chemistry data like element and isotope properties, atomic radii, etc
cdk-chemistry
Chemistry Development Kit
checkmol
Analyze molecules for the presence of functional groups
chemical-mime-data
Collection of chemical MIME types for UNIX desktops
chemtool
Draw organic molecules easily and store them
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If you don't find a package, you are looking for,
we recommend to search the
Ports Collection.
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