/tools/ncsw-data

ncsw-data

neo-chem-synth-wave/ncsw-data

5 stars1 forksJupyter NotebookWebsiteAdded February 8, 2026
summary

The NeoChemSynthWave: Data project focuses on providing access to open datasets for computer-assisted chemical synthesis. It includes functionalities for downloading, extracting, and managing chemical data, which can aid in the design and analysis of molecular synthesis routes.

description

The NeoChemSynthWave: Data project.

topics

chemical-compound-patternschemical-compoundschemical-reaction-patternschemical-reactionschemical-synthesisdatadata-sourcedatabasedatasetretrosynthesisretrosynthetic-analysissynthesizabilitysynthetic-accessibilitysynthetic-complexity

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