SCIPIO: A new tool for scientific computation

The Computational Groups at ICIQ release today, after 3 years of intensive work, SCIPIO (Storing Comprehensibly Interesting Pieces of Inputs and Outputs), a new software platform that solves the problem of storing, managing and processing the most relevant results of computational studies.

Unique features:
  • Both command line interface (transparent to Linux bash shell) and Web interface
  • Data extractor engine fully independent of database structure and user interfaces
  • Almost no recoding is needed for new types of output files
  • Molecular substructure searches
  • Computing and plotting reaction energy profiles from raw data
  • Straightforward generation of Supporting Information PDF or text files
Find more information at: https://scipio.iciq.es/LabBookWeb

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