Topic: crystallography Goto Github
Some thing interesting about crystallography
Some thing interesting about crystallography
crystallography,New home for GSAS-II, for crystallographic and diffraction-based structural characterization of materials
Organization: advancedphotonsource
crystallography,A Python package build to analyze powder XRD (and XRD) data. The only known open-source Github project with a Rietveld refinement method in development.
User: andrewrgarcia
Home Page: https://powerxrd.readthedocs.io
crystallography,Advanced Simulation Library - hardware accelerated multiphysics simulation platform.
User: avtechscientific
Home Page: http://asl.org.il
crystallography,Browser plugin-free CIF visualization: comparison of the open-source engines
User: blokhin
Home Page: http://blokhin.github.io/cif-js-engines
crystallography,3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
User: by256
Home Page: https://pubs.acs.org/doi/10.1021/acs.jcim.0c00464
crystallography,MATLAB Code to Simulate Basic XRD Patterns
User: cameronmcelfresh
crystallography,A versatile and interactive package for solving crystal structures from powder diffraction data
Organization: ccdc-opensource
Home Page: https://teamcity.ccdc.cam.ac.uk/project.html?projectId=Dash&tab=projectOverview
crystallography,Computational Crystallography Toolbox
Organization: cctbx
Home Page: https://cci.lbl.gov/docs/cctbx
crystallography,Diffraction Integration for Advanced Light Sources
Organization: dials
Home Page: https://dials.github.io
crystallography,A crystal structure finder written in PyQt5 and Python3
User: dkratzert
Home Page: https://dkratzert.de/structurefinder.html
crystallography,A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
User: douweschulte
Home Page: https://crates.io/crates/pdbtbx
crystallography,Descriptors (isometry invariants) of crystals based on geometry.
User: dwiddo
Home Page: https://pypi.org/project/average-minimum-distance/
crystallography,Time and space resolved simulations of X-ray induced damage to crystals
Organization: garmangroup
Home Page: http://raddo.se
crystallography,The Swiss Army knife for carbohydrate structure validation, refinement and analysis
User: glycojones
crystallography,Automatic generation of crystal structure descriptions.
Organization: hackingmaterials
Home Page: https://hackingmaterials.github.io/robocrystallographer/
crystallography,A Python package to work with material microstructures and 3d data sets
User: heprom
Home Page: http://pymicro.readthedocs.io
crystallography,Modeling and Crystallographic Utilities
User: hungpham2017
Home Page: https://hungqpham.com/mcu/index.html
crystallography,Data structures, algorithms, and parsing for crystallography
User: laurentrdc
Home Page: https://crystals.readthedocs.io/
crystallography,Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures
User: manny405
crystallography,A code to generate atomic structure with symmetry
Organization: matersim
crystallography,Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science
Organization: mpds-io
Home Page: https://developer.mpds.io
crystallography,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).
Organization: mpds-io
Home Page: https://mpds.io/materials-design
crystallography,MTEX is a free Matlab toolbox for quantitative texture analysis. Homepage:
Organization: mtex-toolbox
Home Page: http://mtex-toolbox.github.io/
crystallography,A tool for calculating distortion parameters in coordination complexes.
Organization: octadist
Home Page: https://octadist.github.io
crystallography,A grain boundary generation code
User: oekosheri
crystallography,Crystallographic files of common materials, elements, oxides, for visualization in Avogadro
Organization: openchemistry
Home Page: https://two.avogadro.cc/
crystallography,Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python
User: peterspackman
crystallography,macromolecular crystallography library and utilities
Organization: project-gemmi
Home Page: https://project-gemmi.github.io/
crystallography,Analysing crystal orientations and symmetry in Python
Organization: pyxem
Home Page: https://orix.readthedocs.io
crystallography,Tools for exploring reciprocal space
Organization: rs-station
Home Page: https://rs-station.github.io/reciprocalspaceship/
crystallography,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.
User: seto77
Home Page: https://seto77.github.io/ReciPro/
crystallography,X-ray diffraction data analysis for high pressure and high temperature experiments
User: shdshim
crystallography,A Julia wrapper for the spglib C-API
User: singularitti
Home Page: https://singularitti.github.io/Spglib.jl/
crystallography,Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.
Organization: sparks-baird
Home Page: https://xtal2png.readthedocs.io/
crystallography,Library for Crystal Symmetry in Rust
Organization: spglib
Home Page: https://docs.rs/moyo/latest/moyo/
crystallography,On-the-fly generator of space-group irreducible representations
Organization: spglib
Home Page: https://spglib.github.io/spgrep/
crystallography,Symmetry data and utilities related to crystallography and X-ray scattering
User: stianpr20
crystallography,Curated list of known efforts in materials informatics, i.e. in modern materials science
Organization: tilde-lab
crystallography,Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats
Organization: tilde-lab
Home Page: http://nanoshow.mpds.io/
crystallography,Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Organization: tilde-lab
crystallography,Materials informatics framework for ab initio data repositories
Organization: tilde-lab
Home Page: https://db.tilde.pro
crystallography,Macromolecular viewer for crystallographers (WebGL)
Organization: uglymol
Home Page: https://uglymol.github.io
crystallography,N-Dimensional MD engine with symmetry group constraints written in C
User: whitead
Home Page: https://whitead.github.io/symd
crystallography,Debye's scattering equation & other analysis of atomistic models.
User: wojdyr
Home Page: http://debyer.readthedocs.org/
crystallography,An expert system for automated reduction of X-ray diffraction data from macromolecular crystals
Organization: xia2
Home Page: https://xia2.github.io/
crystallography,SLICES: An Invertible, Invariant, and String-based Crystal Representation (Text2Crystal) [Nature Communications]
User: xiaohang007
Home Page: https://www.nature.com/articles/s41467-023-42870-7
crystallography,Fundamental scientific algorithms in Julia
User: zyth0s
Home Page: https://zyth0s.github.io/SciAlgs.jl/
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