The Kulik Group at MIT
Powered by molSimplify
1) Select a MOF (metal-organic framework) for analysis
Uploaded cif file must be disorder free and without floating solvent
May MOFSimplify store information on your MOFs?
2) Predict properties of the selected MOF
3) Download descriptors of the selected MOF
Status messages and MOF predictions
Nearest neighbors come from the pool of training data (i.e. CoRE MOFs) used to train an ANN.
Solvent removal stability ANN nearest neighbors
in latent space
in latent space
Thermal stability ANN nearest neighbors
in latent space
in latent space
MOF unit cells are visualized here.
Left click to rotate, right click with mouse to move, scroll with mouse to zoom.
Left click to rotate, right click with mouse to move, scroll with mouse to zoom.
Special thanks to the Koes and Snurr groups for developing visualization code.
MOF linkers and SBUs are visualized here.
Left click to rotate, scroll with mouse to zoom.
Left click to rotate, scroll with mouse to zoom.
Linkers
SBUs
Choose the default MOF HKUST-1 or any CoRE MOF.
Example MOF options
A way for the user to generate MOFs for analysis, using a topological MOF net and nodular and connecting building blocks (bb).
Not every combination of linker, SBU, and net is compatible.
Special thanks to the Gómez-Gualdrón and Snurr groups for developing MOF building block assembly code.
For information on net (topology) abbreviations, refer to 10.1021/acs.cgd.7b00848 and 10.1039/c8ce01637b.
Not every combination of linker, SBU, and net is compatible.
Special thanks to the Gómez-Gualdrón and Snurr groups for developing MOF building block assembly code.
For information on net (topology) abbreviations, refer to 10.1021/acs.cgd.7b00848 and 10.1039/c8ce01637b.
Linker, the connecting building block
SBU, the metal-centered nodular building block
MOF Net