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Search results for materials science crystallography

crystallography x

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16 search results found

Awesome Materials Informatics ⭐ 310

Curated list of known efforts in materials informatics = modern materials science

Robocrystallographer ⭐ 70

Automatic generation of crystal structure descriptions.

On-the-fly generator of space-group irreducible representations

Crystals ⭐ 36

Data structures, algorithms, and parsing for crystallography

A Python package to work with material microstructures and 3d data sets

Xtal2png ⭐ 28

Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.

Mpds Api ⭐ 23

Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science

SLICES: An Invertible, Invariant, and String-based Crystal Representation (Text2Crystal)

Materials informatics framework for ab initio data repositories

Spglib.jl ⭐ 15

A Julia wrapper for the spglib C-API

Mpds Ml Labs ⭐ 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 ⭐ 9

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)

Mpds Client ⭐ 6

MPDS API client library in Python

Materials Design in Javascript (made.js). A JavaScript (Node) library allowing for the creation and manipulation of material structures from atoms up on the web.

Python package for detecting spin space group on top of spglib

1-16 of 16 search results

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