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GitHub / jensengroup / HeckQM

A QM-based workflow for determining the regioselectivity of palladium-catalyzed Heck reactions.

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jensengroup%2FHeckQM

Stars: 4
Forks: 1
Open Issues: 0

License: mit
Language: Jupyter Notebook
Repo Size: 68.2 MB
Dependencies: 17

Created: over 1 year ago
Updated: over 1 year ago
Last pushed: over 1 year ago
Last synced: about 2 months ago

Files
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    Readme
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    Dependencies
    environment.yml conda