/tools/moses

moses

molecularsets/moses

949 stars269 forksPythonWebsiteAdded February 4, 2026
summary

MOSES is a benchmarking platform for molecular generation models that facilitates research in drug discovery by providing datasets and metrics to evaluate the quality and diversity of generated molecules. It implements various generative models and standardizes the evaluation process for molecular generation.

description

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

topics

machine-learninggenerative-modelsdrug-discoverybenchmark

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