molecularsets/moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
MOSES is a benchmarking platform for scientists and researchers in drug discovery who use deep generative models to discover new molecules. It takes a large collection of molecular structures as input and evaluates the quality and diversity of newly generated molecular compounds. This helps standardize research on molecular generation and facilitates the comparison of different models.
958 stars. No commits in the last 6 months.
Use this if you are a cheminformatician or medicinal chemist developing or evaluating molecular generation models and need a standardized way to compare their performance.
Not ideal if you are looking for a tool to directly synthesize molecules or predict their properties without focusing on model comparison.
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958
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270
Language
Python
License
MIT
Category
Last pushed
Jul 08, 2024
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