We now provide compatibility with Docker, which greatly improves the robustness of Ersilia.

This Release contains a stable version of Ersilia's CLI, with bugfixes for predicting large datasets and improved Error notifications for users.

First release of Ersilia with public access to models database

• Version: 0.1.1

This version includes minor updates with respect to v0.1.0. The major improvement is that the AirTable API Read-Only key is now not hardcoded in the library. It can now be found in the config folder, and it is accessed by the Ersilia CLI online.

First release of Ersilia!

Version v0.1.0

This is the first release of the Ersilia CLI tool. This version can be used as to fetch, serve and run models available in the Ersilia Model Hub. At the moment, the models available are all chemistry models, meaning the input is one molecule or a set of molecules.

The typical use case is that a model is fetched. At fetching time, a Conda environment is created with the model identifier. This is the environment that is activated when predictions are run.

Disclaimers

Ersilia is still in an experimental phase. If you encounter probles running the tool, please reach out to us and we will resolve your issues promptly.

Next steps

• Ensure that Ersilia works in Docker containers.
• Input adapters and output adapters.