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Refactor ZairaChem modules to Ersilia Model Hub components #30
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We will need to complete the refactoring before fully incorporating #31 @miquelduranfrigola |
Yes, all clear. Tagging @DhanshreeA since we will have to further improve input output adapters, and most important, figure out a way to make Ersilia models trainable and fine-tunable. |
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Motivation
At the moment, ZairaChem has a lot of dependencies, as apparent from the
install.sh
file. Importantly, several Conda environments are created, which makes it difficult/impossible to maintain. To make ZairaChem more sustainable, we need to migrate most of its code to Ersilia Model Hub artefacts.Types of ZairaChem elements
There are 2 types of modules we want to migrate:
melloddy-tuner
) where this is done in an isolated container/environment. This would prevent us from having to install MELLODDY and its dependencies.fit
instructions. Therefore, we would need to figure this out first. At a high level, we'd like to have fitting capabilities at training time, acompanied with some persistency of AI models in order to use them at prediction time.Roadmap
We should start with static migration, while we figure out the approach for trainable models. I suggest the following order (subject to change):
fit
commands. Probably, we should work on this in a separate issue.ErsiliaModel
Python API calls.The text was updated successfully, but these errors were encountered: