Jimin Park

The predicted values are nan

12

I set up alphafold without docker on our server and ran alphafold with A100 GPU. During relaxation, "simtk.openmm.OpenMMException: Particle coordinate is nan" error occurred as below ``` I0811 17:57:58.746377 140681736556736...

Failed to load grid map - python script

1

Hello. I tried to run Vina with the grid maps using the python script, but it seems that the grid maps were not loaded. I was working at "AutoDock-Vina-1.2.3/example/python_scripting". **First...

Fix mol2 parsing

1

- fix mol2 parsing functions