Access to the MOF Porosity prediction REST API is prodivded by making POST or PUT requests to https://lmds.liverpool.ac.uk/mof_ml/API with JSON fitting the following schema:

Argument	Type	Description
SMILES	String or list of strings	The SMILES strings of the linker(s) with which to make the prediction
metal	String or list of strings	The Elemental symbol of the metal ligand(s) with which to make the prediction

Requests can be made using a single SMILES and single metal, mutliple SMILES and a single metal, multiple metals with a singe SMILES or with equal sized lists of metals and SMILES in corresponding order.


Assuming correct formatting results will be provided as a list of lists. With each list corresponding to a single prediction, and the contents of that list in the following format:

Index	Type	Description
0	String	The SMILES strings of the linker with which the prediction was made.
1	String	The Elemental symbol of the metal ligand with which the prediction was made.
2	String ("True" or "False")	The prediction made by the first model in the ensemble, returns "True" if MOF is predicted to have pore limiting diameter larger than 2.4 Å
3	String ("True" or "False")	The prediction made by the second model in the ensemble, returns "True" if MOF is predicted to have pore limiting diameter larger than 4.4 Å
4	String ("True" or "False")	The prediction made by the third model in the ensemble, returns "True" if MOF is predicted to have pore limiting diameter larger than 5.9 Å
5	String	The overall classification made by the ensemble.

Example Usage

$ curl -X PUT "https://lmds.liverpool.ac.uk/mof_ml/API" -H "Content-Type: application/json" -d '{"SMILES": "CCO", "metal": "Fe"}'