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  1. Chemistry tools

Automated activity prediction models

We are developing AutoML tools for chemistry data to facilitate adoption of AI/ML

PreviousResults cachingNextLight-weight AutoML with LazyQSAR

Last updated 2 years ago

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Quick baseline modeling of chemistry data can be done with , our fast modelling tool. LazyQSAR produces light-weight models for binary classification and regression tasks.

Our flagship AutoML tool for chemistry is . This Python library offers robust ensemble-based modeling capabilities applicable to a wide range of modeling scenarios. At the moment, ZairaChem is focused on binary classification and regression tasks.

In addition, we have developed a model distillation pipeline named aimed at producing light, interoperable models in format.

💊
LazyQSAR
Light-weight AutoML with LazyQSAR
ZairaChem
Accurate AutoML with ZairaChem
Olinda
ONNX
Model distillation with Olinda