Atoms for Humanity

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1. qccodec qccodec Public

   A library for parsing quantum chemistry program output files into structured qcio data objects.

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2. qccompute qccompute Public

   A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more.

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3. qcdata qcdata Public

   A package for structured Quantum Chemistry data.

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4. qcconst qcconst Public

   Physical constants and a user-friendly Periodic Table.

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5. qcinf qcinf Public

   Cheminformatics algorithms and structure utilities using standardized qcio data structures.

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6. atomsforhumanity.org atomsforhumanity.org Public

   Website for atomsforhumanity.org

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