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Projects in Awesome Lists tagged with poscar

A curated list of projects in awesome lists tagged with poscar .

https://github.com/tilde-lab/cifplayer

Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats

cif cifs crystal-structure crystallography optimade poscar symmetry threejs

Last synced: 17 Nov 2024

https://github.com/mpds-io/mpds-ml-labs

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).

ab-initio cif crystal-structure crystallography machine-learning materials-informatics materials-science mpds-api mpds-platform physical-properties poscar random-forest-regressor vasp

Last synced: 06 Nov 2024

https://github.com/rnels12/VASP2ABINIT

converts VASP POSCAR to ABINIT .in file

abinit poscar vasp

Last synced: 20 Nov 2024