GitHub / wolearyc / ramannoodle
Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and machine learning..
JSON API: http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/wolearyc%2Framannoodle
PURL: pkg:github/wolearyc/ramannoodle
Stars: 8
Forks: 4
Open issues: 5
License: mit
Language: Python
Size: 11 MB
Dependencies parsed at: Pending
Created at: about 1 year ago
Updated at: 3 months ago
Pushed at: 14 days ago
Last synced at: 13 days ago
Topics: density-functional-theory, graph-neural-networks, machine-learning, molecular-dynamics, molecular-dynamics-analysis, molecular-dynamics-trajectories, phonons, phonopy, polarizability, python, raman, raman-cross-section, raman-spectra, raman-spectroscopy, raman-spectrum, spectroscopy, vasp, vasp-calculations, vasp-processing, vibrational-analysis