Dlux804 / McQuade-Chem-ML

Development of easy to use and reproducible ML scripts for chemistry.
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Integration/Direct export of ML results to Neo4j #36

Closed Dlux804 closed 4 years ago

Dlux804 commented 4 years ago

Is your feature request related to a problem? Please describe. Current model results are saved to local csv files. Then the csv is read and py2neo is used to import into Neo4j Describe the solution you'd like A more effective and direct export to neo4j. Preferably directly from the model class object to py2neo.
Describe alternatives you've considered An alternative is exporting to local files with better structure. This could be a single file per run or multiple files per run, whatever makes the py2neo easier. JSONs may be a decent solution.
Additional context Use best practices for fast import, such as UNWIND and APOC procedures.

Dlux804 commented 4 years ago

Duplicate of #16