Ersilia Client

Ersilia Client is a Python client to interact with served Ersilia models. It is developed by the Ersilia Open Source Initiative.

Installation

You can install Ersilia Client directly from the source code:

git clone https://github.com/ersilia-os/ersilia-client.git
cd ersilia-client
pip install -e .

Usage

from ersilia_client import ErsiliaClient, example_url

ec = ErsiliaClient(url=example_url)
input = ["CCCCOC", "CCCCCN"]
result = ec.run(input)
print(result)

To-do

• There is an app.py file containing a FastAPI implementation. We may want to use it here or move it elsewhere, for example, as part of a new template.
• The client only works for Compound inputs, for now. Accept other input types.
• Complex outputs are not yet parsed.

About us

This package is part of the Ersilia Open Source Initiative. Please see the Ersilia's main repository for more information.