search

itai-levin / hybmind

Code used for developing and analyzing the results of the hybrid synthesis planner
MIT License
4 stars 1 forks source link

Hybrid synthesis planner not running as expected #2

Open mohovision opened 3 weeks ago

mohovision commented 3 weeks ago

I am trying to run the hybrid synthesis planner for the first example in the /data/molecule_sets/boutique+named.csv file. The error is coming in getting the response from api in the method "post_and_get" inside call_ASCOS_api/scripts/run_tree_builder_api2.py. The response of request is handled as a json response but I am actually getting an html response. Following is the screenshot of the error. I am trying to run in on my macbook by opening jupyter notebook locally in my browser. Screenshot 2024-06-05 at 8 37 05 PM Screenshot 2024-06-05 at 8 37 05 PM Screenshot 2024-06-05 at 8 37 05 PM

itai-levin commented 3 weeks ago

Hi, it indeed seems that you are not getting a properly formatted json result. Just confirming, were you able to deploy the ASKCOS server and provide the host url to the submit_tree_search.py script?

mohovision commented 3 weeks ago

Thanks for the quick response, I am running it on my system. I actually used the host ip of my system this and executed the submit_tree_search.py script on my terminal, and it gave me a connection error. Screenshot 2024-06-05 at 10 30 05 PM I am not sure what is the problem.

itai-levin commented 2 weeks ago

Hi, It is hard to diagnose the problem without more information, but it seems that the main possibilities are either a) that your askcos server was not set up properly or b) you are trying to send requests to the wrong url.

If you deployed using Docker, you can check a) by navigating to the askcos-deploy folder of your askcos deployment and checking the logs using docker-compose logs to see if there are any errors. Additionally, if set up completed successfully, you should be able to access the GUI by typing the URL into your web browser.

To check b) you could try the simple command in Python requests.get('https://<YOUR URL>/api/v2', verify=False) to see if you can get any connection.

itai-levin commented 2 weeks ago

Generally, this code was designed for an older version of ASKCOS that has many outdated dependencies which makes it hard to build. I would recommend looking into the newer version of ASKCOS which has the enzymatic models incorporated in it: https://gitlab.com/mlpds_mit/askcosv2/askcos2_core

It will also require modifying the API calls