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kjappelbaum
mofdscribe kjappelbaum
7
43
mit
4
An ecosystem for digital reticular chemistry
ml mof metrics benchmark splitting descriptors data-science featurization hacktoberfest machine-learning porous-materials reticular-chemistry artificial-intelligence metal-organic-frameworks
Created 2022-03-18
527 commits to main branch, last one 8 months ago
lipelopesoliveira
pyCOFBuilder lipelopesoliveira
1
39
mit
1
A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach
machine-learning reticular-chemistry computational-chemistry covalent-organic-frameworks
Created 2021-05-30
255 commits to master branch, last one 10 days ago