AiZynthTrain: Robust, Reproducible, and Extensible Pipelines for Training Synthesis Prediction Models
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DOI: 10.1021/acs.jcim.2c01486
Abstract: We introduce the AiZynthTrain Python package for training synthesis models in a robust, reproducible, and extensible way. It contains two pipelines that create a template-based one-step retrosynthesis model and a RingBreaker model that can be… read more here.
Keywords: training synthesis; aizynthtrain robust; synthesis; extensible pipelines ... See more keywords