cheongw

Unable to load and featurize the pdbbind data (Chapter05/pdbbind_rf.py)

1

Hi, I have been trying to run the revised code from the tutorial (Chapter05/pdbbind_rf.py). However, I could not load and featurize the pdbbind data from Molnet for some reason. Please,...

Some of the functions from the "pymks" module do not work.

15

Hi, When the script is run with the functions "PrimitiveBasis( )", "MKSHomogenizationModel( )", and etc., it keeps giving me the error messages as the following: Warning (from warnings module): File...

Printing the data of dask array

1

Hi, I am trying out the example in “Predict Local Properties” section of the webpage ([PyMKS (Dask) Introduction — PyMKS](https://pymks.readthedocs.io/en/stable/rst/notebooks/intro_parallel.html#Note-(issue-or-bug))) -------------Script--------------------------------------------------------- x_delta = generate_delta(n_phases=2, shape=(21,21)) y_delta = solve_fe(x_delta, elastic_modulus=(100,150), poissons_ratio=(0.3,0.3),...