swansonk14 / admet_ai Goto Github PK

After following the web server installation instructions, I get an "Internal Server Error" message when accessing it.
I am using OpenSUSE Leap 15.5 and a Conda Python installation.

Hi Kyle,

Thanks for making this great tool available to the public. By default the web server uses port 5000, but is there a way to change this, as many web tools by default use this port. Where is this configured?

Much appreciated/Evert

Hi,

Now that I have a local install with web server up and running I note that there is no molecule sketcher app shown. Presumably something is lacking on my machine. Any ideas?

Hello, for some compounds your tool predicts negative hepatocyte clearance values. From a practical standpoint that doesnt make much sense. So, should I just interpret these as 0 values (i.e. no clearance)?

Hello,when I run the inference.py, I get this problem. Can you help me solve the problem?

FileNotFoundError: [Errno 2] No such file or directory: '/home/xuhu/project/admet_ai/admet_ai/resources/data/reference_no_kd_ic50.csv'

Hi Kyle,

Sorry to bother you again, but on my local installation the maximum number of molecules to predict in one run is set to 1000. How can I increase this number? Where is this limit defined?

Also, it would be very useful if one could include an ID column in a csv file to identify molecules in the results. Now you have rely on the smiles only as it seems (?)

Thanks/Evert