Closed iino0918 closed 4 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.
Is it now available to use R models or retrained models for python?
@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.
@yo-ii Also, see this tutorial to learn how to use new APIs.
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.