Updated 11 months ago
pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Updated 10 months ago
https://github.com/hackingmaterials/robocrystallographer
Automatic generation of crystal structure descriptions.
Updated 11 months ago
cifplayer
Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats
Updated 10 months ago
https://github.com/laurentrdc/crystals
Data structures, algorithms, and parsing for crystallography
Updated 10 months ago
https://github.com/singularitti/spglib.jl
A Julia wrapper for the spglib C-API
Updated 10 months ago
https://github.com/mineralscloud/crystallographybase.jl
This package contains some basic functionalities of Crystallography.jl
Updated 10 months ago
https://github.com/tilde-lab/tilde
Materials informatics framework for ab initio data repositories
Updated 10 months ago
https://github.com/exequantcode/artemis
Fortran code for generating and predicting interfaces between two crystals.
Updated 11 months ago
awesome-materials-informatics
Curated list of known efforts in materials informatics, i.e. in modern materials science
ab-initio
atomistic-simulations
awesome
awesome-list
chemistry
computational-materials
computational-materials-engineering
crystal-structure
crystallography
data-science
materials
materials-data
materials-design
materials-discoveries
materials-genome
materials-informatics
materials-platform
materials-science
phase-diagram
phase-diagrams