Sequential design of adsorption simulation for small molecule adsorption in a MOF
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Updated
Sep 15, 2021 - Python
Sequential design of adsorption simulation for small molecule adsorption in a MOF
A code to generate MOFs structure with a specific structure design
Wrapper around the mofDB api for easy python use
Python code to initialize adsorbates on MOFs
An Active learning algorithm for multi-component adsorption prediction in MOF
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