prokia / bionavi-np Goto Github PK
View Code? Open in Web Editor NEWBiosynthesis Navigator for Natural Products
Biosynthesis Navigator for Natural Products
Hi, thanks for this amazing work.
Nevertheless, lately as I would like to try the BioNavi server, it always said
Failed to submit! The server is under maintenance, Please try later.
Could you please help?
Best regards,
How do I retrain a model?
Hi, I notice you have a fold named singlestep, do you have code to make single-step inference of retrosynthesis prediction?
Thanks
Hi,
When I was running the run_biosynthesis.py
file, I got this error: pynvml.nvml.NVMLError_LibraryNotFound: NVML Shared Library Not Found
and I thought this is because there is only cpu on my computer.
Could you help me figure out this problem and I wonder is there a cpu version to run your code?
Thanks!
Dear author,
I am trying to run your code. I did all the instruction you provided on Github.
When I run "python run_biosynthesis.py"
The, I get the following error:
FileNotFoundError: [Errno 2] No such file or directory: '../singlestep/checkpoints/np-like/model_step_30000.pt'
Any idea why? Thanks.
Hi,
When I was running the model, I met the module not found error(see figure below).
it said the modulemlp_retrosyn
can not be found, I checked the file and found the file is in a different folder, so I add the full path of this module to the python fileprepare_utils.py
when import the mlp_retrosyn
module. What I did is change the file prepare_utils.py
line 9 from mlp_retrosyn.mlp_inference import MLPModel
to from retro_star.packages.mlp_retrosyn.mlp_retrosyn.mlp_inference import MLPModel
This problem was solved.
However, other modules still can not be found e.g.rdchiral
(see figure). So I am wondering, instead of adding the full path to the python file mannually to import the missing module, is there a better solution?
Thanks in advance!
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