tagged with computational-chemistry
Displaying 1-2 of 2 total results

franciscoadasme

franciscoadasme/chem.cr

Library for dealing with computational chemistry files

crystal-lang science computational-chemistry protein-structure
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  • 3 months ago
franciscoadasme

franciscoadasme/psique

PSIQUE is a geometry-based secondary structure assignment method based on DFT calculations

crystal-lang science computational-chemistry protein-structure
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  • 7 months ago