Updated 9 months ago
pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Updated 9 months ago
https://github.com/hackingmaterials/robocrystallographer
Automatic generation of crystal structure descriptions.
Updated 9 months ago
cifplayer
Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats
Updated 9 months ago
https://github.com/laurentrdc/crystals
Data structures, algorithms, and parsing for crystallography
Updated 9 months ago
https://github.com/mineralscloud/crystallographybase.jl
This package contains some basic functionalities of Crystallography.jl
Updated 9 months ago
https://github.com/tilde-lab/tilde
Materials informatics framework for ab initio data repositories
Updated 9 months ago
https://github.com/exequantcode/artemis
Fortran code for generating and predicting interfaces between two crystals.
Updated 9 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