CHEESE Search App

This part is about converting the outputs of the inference to an API and a UI. Please note that this step requires only the output files from the CHEESE Inference.

Follow these steps to run the App :

If you haven't started CHEESE server, start it by running cheese start-server
To enable ZINC and Enamine search, you should have the following folders as well : enamine_real and zinc15 that you can download from our S3 bucket. For optimal search speed of ZINC and Enamine, please note that this data should lie in an EBS General Purpose SSD (e.g gp2 or gp3) with 1.7 TB of memory. Please contact us to provide you with the processed data.
Modify the CHEESE YAML configuration file defined during the installation and specify :
The paths to ZINC and Enamine folders.
Specify the name and path of your custom processed database after running CHEESE inference, as well as the delimiter and index_type used in the inference. For example :

OUTPUT_DIRECTORIES: 
  ENAMINE-REAL: "/data/enamine_real" 
  ZINC15: "/data/zinc15"
  MyDatabase: "/data/custom_database_output"

DELIMITERS:
  ENAMINE-REAL: "\t" 
  ZINC15: ","
  MyDatabase: ","

INDEX_TYPES:
  ENAMINE-REAL: "clustered"
  ZINC15: "clustered"
  MyDatabase: "in_memory"

Run the cheese app using cheese start-app

Optionally, you can specify the port on which to run the app using cheese start-app --port <port>

You can stop all running CHEESE UIs using cheese stop-apps