Popular repositories Loading

1. Motif_Complex Motif_Complex Public

   Calculating topological invariants from periodic crystal structures

   Python 3

2. Lattice_Invariance Lattice_Invariance Public

   Calculation of Conorm and Vonorm Invariants

   Python 1

3. Poly_Group_Calc Poly_Group_Calc Public

   Programs for calculating generators and relators from public groups

   Python

4. Closed_Lk_Form Closed_Lk_Form Public

   Uses AT formula to calculate the linking number of two straight line segments given their endpoints as inputs

   Python

5. Powder_RMSD_Link_Compare Powder_RMSD_Link_Compare Public

   Make RMSD, xPRD and 'Linking number' comparisons between all CIF files in a folder

   Python

6. dScribe_tools dScribe_tools Public

   dScribe descriptor comparison

   Python