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yoshida-lab / XenonPy

XenonPy is a Python Software for Materials Informatics
http://xenonpy.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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How to use R model? #138

Closed iino0918 closed 4 years ago

iino0918 commented 5 years ago

In the last part of XenonPy/samples/mdl.ipynb, it is announced the R tutorials will be released. I want to use the R model, since the python model is available only for inorganic crystals. Please disclose how to calculated the fingerprint value input to the R model. If there is some reference code, it is ok.

TsumiNa commented 5 years ago

Hi, @yo-ii. All R models are maintained by other guys, so we need more time to wait for his docs, please be patient. Also, we are planning to retrain all R models in python to improve the consistency of our interface.

iino0918 commented 4 years ago

Is it now available to use R models or retrained models for python?

TsumiNa commented 4 years ago

@yo-ii We are training organic models in Python. These will include data from QM9, Polymer Genome, and so on. These tasks still need more time, but when it finished you will never need to run codes in R.

TsumiNa commented 4 years ago

@yo-ii Also, see this tutorial to learn how to use new APIs.