Apex Res is a reversed-phase HPLC retention modelling web application for optimisation of chromatographic analyte separation.
Currently, users supply two scouting runs with different gradient times and the application will interactively model and visualise retention across all valid gradient conditions using the Linear Solvent Strength (LSS) model.
Future work will include the ability to model retention using more complex models.
Deployment is controlled using docker compose.
Linux users can install docker and docker compose by following the instructions here. Windows users will first need to install WSL2 and then follow the Linux instructions.
Once docker and docker compose are installed, the application can be deployed by running the following command in the root directory of the repository:
docker compose -f deploy/docker-compose.yml up -d --buildThis will build the docker images and start the application. The application will be available at http://localhost:3000.
The backend is a Python FastAPI application, which can be installed using poetry via the following command:
poetry installThe application can be run locally using the following command:
poetry run hypercorn apex_res.main:app --bind 0.0.0.0:8080The frontend is a React application, which can be installed using npm via the following command:
npm installThe application can be run locally using the following command:
npm startDocumentation describing the authentication procedure and retention modelling algorithm can be found in the docs directory.
