crystallography
Here are 96 public repositories matching this topic...
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Apr 8, 2024 - Python
Using fast_dp @ work to test on cbf and hdf5 files.
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Jul 29, 2019 - Python
A flexible Python library for atomic structure generation.
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Jul 6, 2023 - Python
A simpler and smaller version of Computational Crystallography Toolbox (CCTBX) that kept all the common and documented features of CCTBX
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Jun 3, 2020 - Python
A Program for the Calculation of Effective One-Particle Potentials (OPPs)
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Aug 22, 2021 - Python
CCD is a web application that facilitates protein crystallography experiments. In this repository you can find the core of the application.
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Jul 1, 2021 - Python
Fast PyTorch-accelerated simulation of the diffraction patterns
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Aug 6, 2021 - Python
"high/low" keV crystallohgraphy image analysis tool for CXLS.
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Apr 22, 2024 - Python
Scripts to faciliate programmatic dimer and cluster generation with CLUSTERGEN
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Aug 9, 2019 - Python
Normalization of Hirshfeld surface fingerprint maps, quantification and display of pairwise differences of them.
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Apr 25, 2023 - Python
This Python code generates a Combinatorial Discrete Cell Complex for the slip planes arrangement in FCC and BCC lattices as a set of Adjacency and Incidence matrices
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May 21, 2024 - Python
Multiview opinion fusion machine learning (MvOF-ML) for automatically identifying crystal systems from electron diffraction patterns.
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Jan 2, 2024 - Python
Plotting crystal orientation density in the Inverse Pole Figure (IPF) triangle.
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Feb 9, 2022 - Python
Multiview opinion fusion machine learning (MvOF-ML) for automatically identifying crystal systems from electron diffraction patterns.
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Nov 27, 2023 - Python
Machine learning assisted detection of threading dislocations in ECC images. Uses Tensorflow.
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Jun 20, 2022 - Python
WxPython desktop application for simulation of crystal structures and symmetry operations in wxAuiNotebook-embedded Mayavi scenes
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Sep 11, 2023 - Python
Calculates the geometry indices tau_4 and tau_5 from crystallographic information file (CIF)
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Oct 23, 2021 - Python
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