The CX-ASAP website
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Mar 9, 2023 - HTML
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crystallography
Here are 8 public repositories matching this topic...
A data analysis report on ligand crystallography
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Jan 18, 2019 - HTML
SISYPHOS software for the serial modelling of crystallographic data for the same structure within Olex2.
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Apr 26, 2024 - HTML
ExaFEL project documentation repository
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May 8, 2020 - HTML
SpglibJS: C crystal symmetry library transpiled to JavaScript for in-browser usage. See in action online
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May 11, 2016 - HTML
Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)
data-science
materials
crystallography
crystal-structure
materials-science
materials-informatics
materials-platform
phase-diagram
phase-diagrams
mpds-platform
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Apr 29, 2024 - HTML
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).
machine-learning
vasp
crystallography
cif
crystal-structure
poscar
materials-science
ab-initio
materials-informatics
physical-properties
random-forest-regressor
mpds-api
mpds-platform
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Updated
Oct 31, 2024 - HTML
Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science
data-science
materials
crystallography
crystal-structure
materials-science
materials-informatics
materials-platform
phase-diagram
phase-diagrams
calphad
mpds-api
mpds-platform
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Updated
Aug 29, 2024 - HTML
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