njszym / xrd-autoanalyzer Goto Github PK

in solid_solns, From pymatgen import Composition is now from pymatgen.core.composition import Composition

For pymatgen version >= 2022.0.0 https://pymatgen.org/compatibility.html

when i finish setup an let fastdtw use cpp mode , the program sill run with high CPU occupancy and 100% ram .so i debug the code, find
autoXRD/spectrum_analysis/init.py at 529 line "result.append(self.model(x, training=True))" cause so many time and cause windows problem report . After check the report , most of them are talking about memory overflow and space call errors.I don't know if my tensorflow is not installed properly.After all, according to readme, it only takes a few seconds for a single core CPU to complete the prediction.

At present, my research group is also conducting research on the prediction of material properties by XRD images based on in-depth learning. I hope you can help me solve the problems in the package and communicate with you more.
Thank you !