Upwork is hiring a Looking for a machine learning code using Dscribe descriptors to predict molecular properties

Looking for a machine learning code using Dscribe descriptors to predict molecular properties

Upwork  ·  US  ·  $75k/yr - $150k/yr
about 2 years ago

In this articlehttps://www.sciencedirect.com/science/article/pii/S0010465519303042 , in sections 4.1 and 4.2, they describe how to use Dscribe for Formation energy prediction for inorganic crystals and for Ionic charge prediction for organic molecules. I was wondering if you could write a machine learning code in the python language, that accomplishes the tasks described in these sections. Ideally it would be a pair of python scripts I could download and use in windows, in pycharm.

Job is closed

This job is already closed and no longer accepting applicants, sorry.