MichailDanikas

generate dataset for torchani

1

Hi, I have a problem creating my own dataset to use them later for training. I'm a begginer with h5py but I don't understand how the datasets should be formated....

Installation on OpenSUSE leap 15 cannot find MKL for GCC

6

I'm working on OpenSUSE leap 15 OS and I have trouble on building crest with cmake and meson. I follow the commands bellow. `export FC=gfortran CC=gcc` `meson setup -Dla_backend=mkl _build_intel...