/ml-with-ms

material informatics

Primary LanguagePython

The organic material query system for HOMO and LUMO properties.
Medium link for more information: https://medium.com/@minhsueh


Required packages:

rdkit == 2020.03.2
keras == 2.1.2
tensorflow == 1.14.0
flask == 1.1.2
pandas == 1.0.3
numpy == 1.18.1
matplotlib == 3.2.1
scipy == 1.4.1
sklearn == 0.23.1


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