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atzkenneth / dragonfly_gen

De novo drug design with deep interactome learning
https://doi.org/10.1038/s41467-024-47613-w
GNU Affero General Public License v3.0
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No module named 'dragonfly_gen #4

Open Bilal0101-debug opened 6 months ago

Bilal0101-debug commented 6 months ago

I am writing to address an issue encountered during the execution of the sampling script following the successful installation of dragonfly_gen, as per the provided instructions.

Upon attempting to run the script using the following command:

python sampling.py -config 701 -epoch 151 -T 0.5 -pdb 3g8i -num_mols 100 An error is being thrown. This impediment is hindering further progress and necessitates investigation to rectify the situation.

Could you kindly provide guidance or assistance in resolving this error? Any insights or recommendations would be greatly appreciated.

Traceback (most recent call last): File "sampling.py", line 25, in from dragonfly_gen.drugtargetgraph.utils import ( ModuleNotFoundError: No module named 'dragonfly_gen'

rcdash commented 2 months ago

I am facing same problem

Paulina-GM commented 1 month ago

Hello. I am also having the same issue. Just wondering if this problem was already addressed? Thanks in advance for the updates

Bilal0101-debug commented 1 month ago

Hi, I have resolved the issue. To properly set up the Dragonfly package, ensure that you export the path up to its main directory. You can do this by using the following command: export PYTHONPATH="${PYTHONPATH}:/path/to/dragonfly/main/directory/"

Paulina-GM commented 1 month ago

Hi, I have resolved the issue. To properly set up the Dragonfly package, ensure that you export the path up to its main directory. You can do this by using the following command: export PYTHONPATH="${PYTHONPATH}:/path/to/dragonfly/main/directory/"

Hi Bilal, Thank you for looking into this. I tried again to run the sampling but I keep having the same issue I see the sampling file has not changed do we need to update something so the change you did applies?

Also I checked the export file with the echo $PYTHONPATH instruction and it is showing the right PATH.

If you have any other pointers to look at that could help I would really appreciate.

Thanks in advance!