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Search results for crystal crystallography
crystal
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crystallography
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15 search results found
Pyxtal
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207
A code to generate atomic structure with symmetry
Recipro
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101
The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates a diffraction pattern and high-resolution TEM image, indexes diffraction spots, plots stereographic projection, and so on.
Orix
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73
Analysing crystal orientations and symmetry in Python
Robocrystallographer
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70
Automatic generation of crystal structure descriptions.
Crystals
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36
Data structures, algorithms, and parsing for crystallography
Slices
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22
SLICES: An Invertible, Invariant, and String-based Crystal Representation (Text2Crystal)
Icsg3d
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20
3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
Chmpy
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15
Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python
Xia2
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15
An expert system for automated reduction of X-ray diffraction data from macromolecular crystals
Crystals
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11
Crystallographic files of common materials, elements, oxides, for visualization in Avogadro
Mpds Ml Labs
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10
This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).
Pycrystal
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9
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Raddose 3d
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8
Time and space resolved simulations of X-ray induced damage to crystals
Soprano
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6
Soprano - a Python library to crack crystals!
Gallop
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6
Accelerated molecular crystal structure determination from powder diffraction data
Mcse
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5
Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures
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