PyDigger - unearthing stuff about Python


NameVersionSummarydate
rheedium 2024.12.23 Differentiable RHEED simulations in JAX 2024-12-23 19:11:14
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
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