RuntimeWarning: invalid value encountered in cast Y = indices.astype(int)

[wxdwxda]

parse_chi.py:91: RuntimeWarning: invalid value encountered in cast Y = indices.astype(int)

[mapuyi]

I met this all the time in docker container and web-server as well. But the results seem quite ok.

I didn't see this warning when running in my local conda environment and the results are always terrible.

[haeussma]

Same issue on my side. Also running in Docker. Additionally, the pdb files are empty.

[jchenpku]

I had this warning using the conda version.

[rjrich]

Similar warning using conda environment:

0it [00:00, ?it/s]~/DiffDock/datasets/parse_chi.py:91: RuntimeWarning: invalid value encountered in cast Y = indices.astype(int) 1it [07:14, 434.68s/it]