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Name: Ricardo Almir Angnes
Type: User
Ricardo Almir Angnes's Projects
chemxls
Chemxls can recursively analyze directories and mine data from some of the most common computational chemistry input and output files. This data is then organized, on an easily configurable way, into an user friendly Spreadsheet document that containing raw data, processed data or Hyperlinks to aditional data.
mechasvg
Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
raachem
Python scrips that agilize computational chemistry workflow (i.e. analysis of output files & creation of input files, etc.), combined on a single python module
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