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.
- 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