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Search results for python crystal structure

crystal-structure x

11 search results found

Awesome Materials Informatics ⭐ 310

Curated list of known efforts in materials informatics = modern materials science

Robocrystallographer ⭐ 70

Automatic generation of crystal structure descriptions.

Crystals ⭐ 36

Data structures, algorithms, and parsing for crystallography

Materials informatics framework for ab initio data repositories

Latticegraph_designer ⭐ 13

PyQt based GUI tool which allows to visualize, design and export the lattice graph models.

Symmetry crystal combinatorial optimization program for crystal prediction.

Pycrystal ⭐ 9

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

Cif Ontology ⭐ 8

Basic crystallography domain ontology based on EMMO and the CIF core dictionary.

cif2cell compatible with Python 3+

Mpds Client ⭐ 6

MPDS API client library in Python

Accelerated molecular crystal structure determination from powder diffraction data

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