Ludwig Schneider
Ludwig Schneider
One of the fundamental concepts of graph based data is, that changing the order of the nodes (or the edges) does not change the graph properties. Basically all GNNs work...
I was trying to compile ambermini on the new debian with gfortran-10. And I got this error during the compilation stage: ``` gfortran -c -O3 -I/home/ludwig/git/ambermini/include -Wall -o dgetv0.o dgetv0.f...
PySAGES should support a way to support external fields into the simulation. We are envisioning a separate API that supports this. The external field should be passed separately to the...