Published December 8, 2025 | Version 2025.12.5
Dataset Open

Compound library and scoring model used in msemblator

Authors/Creators

Description

These files contain the compound libraries and machine learning-based scoring models utilized in msemblator. Upon completion of the download, please ensure that the files are organized to replicate the directory structure provided in the corresponding GitHub repository.

Files

msemblator_library_2025.12.5.zip

Files (388.5 MB)

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md5:0070aa651823e9f94481648b085271d7
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Additional details

Software

Repository URL
https://github.com/systemsomicslab/msemblator
Programming language
Python