After @lopeztarifa colloquium talk, discussed with @arnikz:
"Thanks, Pablo Lopez-Tarifa. Nice talk. Perhaps, I missed it but (i) is this chemistry simulation suite aimed at anorganic and/or organic chemistry? ii) how did you unify the mappings from OWL -> YAML -> DDL (SQL)? (the latter could be a topic for Data SIG)"
Yes, we are aimed at both organic/inorganic reactions. I have shown one of the user cases about the CO2 conversion, but we are also working on other cases with organic molecules like lignin. About the mapping, the Simphony library that creates the Python objects from an ontology is able now to read ontologies directly from OWL, so there is no need to pass through an intermediate YAML file. About the SQL, I was not coding the wrapper on the SQLite library myself, so I will need to dig it a bit into it to say something intelligent I could prepare something more technical for the Data SIG though.
After @lopeztarifa colloquium talk, discussed with @arnikz:
"Thanks, Pablo Lopez-Tarifa. Nice talk. Perhaps, I missed it but (i) is this chemistry simulation suite aimed at anorganic and/or organic chemistry? ii) how did you unify the mappings from OWL -> YAML -> DDL (SQL)? (the latter could be a topic for Data SIG)" Yes, we are aimed at both organic/inorganic reactions. I have shown one of the user cases about the CO2 conversion, but we are also working on other cases with organic molecules like lignin. About the mapping, the Simphony library that creates the Python objects from an ontology is able now to read ontologies directly from OWL, so there is no need to pass through an intermediate YAML file. About the SQL, I was not coding the wrapper on the SQLite library myself, so I will need to dig it a bit into it to say something intelligent I could prepare something more technical for the Data SIG though.