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eMolFrag

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Date created: 2017-03-11 05:57 PM | Last Updated: 2024-07-28 11:03 PM

Category: Project

Description: Datasets, benchmarks, and other files for eMolFrag

Wiki

Benchmarking and testing datasets:

  • test-set100.tar.gz - testing dataset of 100 compounds in MOL2 format.
  • CHEMBL175476.tar.gz - input and output from eMolFrag for a single compound, CHEMBL175476.

Files

Files can now be accessed and managed under the Files tab.

Citation

Tags

Computational biology

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