A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach
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Sep 3, 2024 - Python
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covalent-organic-frameworks
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Python code for the paper Bayesian Optimization of Nanoporous Materials.
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Mar 3, 2023 - Jupyter Notebook
zeo++ fork of the LSMO
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Dec 19, 2022 - C++
This repository contains the code to run local gaussian processes for designing COFs with improved methane deliverable capacity
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Apr 2, 2024 - Jupyter Notebook
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