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Search results for crystal structure
crystal-structure
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22 search results found
Awesome Materials Informatics
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310
Curated list of known efforts in materials informatics = modern materials science
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.
Mcmd
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74
Monte Carlo and Molecular Dynamics Simulation Package
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
Disorder
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36
A code for generating irreducible site-occupancy configurations
Mpds Api
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23
Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science
Tilde
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19
Materials informatics framework for ab initio data repositories
Cifplayer
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18
Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats
Spglib.jl
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15
A Julia wrapper for the spglib C-API
Xtalopt
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14
Official public repository for the XtalOpt crystallographic evolutionary algorithm
Latticegraph_designer
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13
PyQt based GUI tool which allows to visualize, design and export the lattice graph models.
Sccop
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11
Symmetry crystal combinatorial optimization program for crystal prediction.
Crystals
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11
Crystallographic files of common materials, elements, oxides, for visualization in Avogadro
Cif Js Engines
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10
Browser plugin-free CIF visualization: comparison of the open-source engines
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
Cif Ontology
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8
Basic crystallography domain ontology based on EMMO and the CIF core dictionary.
Tutorial
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7
Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)
Cif2cell
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7
cif2cell compatible with Python 3+
Mpds Client
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6
MPDS API client library in Python
Gallop
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6
Accelerated molecular crystal structure determination from powder diffraction data
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1-22 of 22 search results
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