PyDigger - unearthing stuff about Python


NameVersionSummarydate
mofstructure 0.1.8.2 A Python tool to deconstruct MOFs into building units and compute porosity. The code removes guests from MOFs and all porous systems, computes SMILES strings and InChIKeys of all building units. 2024-11-13 11:58:00
hourdayweektotal
38149010298312483
Elapsed time: 3.04044s