Quick start

Ersilia ML models are stored in GitHub and Open Science Framework. Once ersilia package is installed, you can fetch each model individually.

Each model has a unique identifier in the format eos0abc.

Command Line Interface

First, download your model of interest. It will be stored locally at ~/eos.

ersilia fetch eos0abc

You can check the catalog of models available in your computer.

ersilia catalog --local

For more information, check the model card.

ersilia card eos0abc

Serve your model. A URL will be displayed, together with the APIs available for the model.

ersilia serve eos0abc

To run the model, use your API of choice. For example, predict for Caffeine.

ersilia api eos0abc predict "CN1C=NC2=C1C(=O)N(C(=O)N2C)C"

Don't forget to close the model when you are finished.

ersilia close eos0abc

If you don't want to use this model anymore, remove it from your computer.

ersilia delete eos0abc

Python Package

Ersilia can be also run as a Python package.

from ersilia import ErsiliaModel

mdl = ErsiliaModel('eos0abc') # fetches model if not available locally

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