App/Package
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Abstract
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Addition or Link
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CheMPS2
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Spin-adapted implementation of DMRG for ab initio quantum chemistry
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Jmol
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Java 3D viewer for chemical structures
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MolScript
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Display 3D molecules in schematic and detailed representations
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atom-chemistry
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Program for DFT calculations in atoms
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avogadro2
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Chemical editor and visualization application
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avogadrolibs
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Avogadro2 libraries for chemical editor and visualization applications
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bagel
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Brilliantly Advanced General Electronic-structure Library
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bodr
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Chemistry data like element and isotope properties, atomic radii, etc
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cdk-chemistry
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Chemistry Development Kit
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checkmol
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Analyze molecules for the presence of functional groups
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chemical-mime-data
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Collection of chemical MIME types for UNIX desktops
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chemtool
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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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Back to the Office Applications
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