DockStream

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Openbabel integration failed

1

I am trying to implement Dockstream with the vina backend, an exception is raised with openBabel executable. Traceback (most recent call last): File "DockStream/target_preparator.py", line 130, in prep = AutodockVinaTargetPreparator(conf=config,...

Crispae

Parallelization of ADV for docking

3

Hello, I am trying to run first docking experiments together with reinvent. I am observing many ADV jobs getting started with `-cpu 1` (hardcoded), but a few (1 or 2)...

LarsAC

No module named 'ccdc'

4

I believe I successfully installed the normal (not Full) DockStream package as per your instructions on the github site, and then tried to run the unit test, but this fails...

Evert-Homan