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giotto-tda

A high-performance topological machine learning toolbox in Python

materials-synthesis-pu-gnn

Personal Re-construction of "Synthesizability-PU-CGCNN"

mof-cgcnn

We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two major modifications were made to the original CGCNN algorithm.The new pooling method mainly depends on the SBUs to describe the local chemical environment around the metal sites. Considering certain adsorbates dom

synthesizability-mof-cgcnn

tree-model

Tree model with detailed explanation