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Installation guide

This page contains information about the installation, licensing and configuration of Trainer Engine.

Integrating Trainer Engine and Playground

To use your training models created with Trainer Engine for prediction in Playground please follow the instructions below:

  1. Download and install Docker to your computer.
  2. Create a ChemAxon account and generate an API key.
  3. Once Docker is installed on your computer, login with it to the ChemAxon hub using the following command:
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 echo <API-KEY> | docker login -u <E-MAIL> --password-stdin hub.chemaxon.com
  1. Once you are logged in, download the ZIP package containing the necessary YML configuration file to run both applications.
  2. Unzip the package and run Docker with the following command to start the joint application:
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docker compose -f docker-compose-trainplay.yml up
  1. After starting Docker you can reach Trainer Engine under the localhost/trainer/ path and Playground under the localhost/playground/ path.

    Note 1: The YML file is an example configuration of Docker Compose integrating Trainer Engine into the Playground application. Docker downloads the images of the two applications when it is first run.

    Note 2: The ZIP package contains an empty chemaxon-trainer-data directory where training models are placed during runs.

    Note 3: You need Trainer and MarvinJS licenses to run both applications. The two licenses can be placed in one license.cxl file.

    Note 4: Since Docker v. 4.3.0 you can use compose as a separate command with docker, without using - to concatenate them. See the details of this change here.

Licensing

To use the Trainer Engine you need a valid Trainer Plugin license.

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  **Note:** The license file (`license.cxl` ) must be placed in the `.chemaxon` (Unix) or `chemaxon` (Windows) sub-directory of the user’s HOME directory.

Troubleshooting notes