/tools/EvalRetro
EvalRetro
OptiMaL-PSE-Lab/EvalRetro
19 stars2 forksPythonAdded February 8, 2026
summary
EvalRetro is a repository designed for evaluating single-step retrosynthesis algorithms. It allows users to test their own retrosynthetic predictions against benchmark datasets, facilitating the development and assessment of molecular generation models.
description
A repository for evaluating single-step retrosynthesis algorithms
topics
benchmark-frameworkinterpretable-machine-learningpytorchretrosynthesis
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