albapa's starred repositories
ML-quantum-vibrational-spectroscopy
Dipole and polarizability models developed using the approach Kapil, V., Kovács, D. P., Csányi, G., & Michaelides, A. (2023). First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects. Faraday Discussions, 10.1039.D3FD00113J. https://doi.org/10.1039/D3FD00113J
orientation
Nearly Optimal Coverings of Orientation Space
pyquaternion
A fully featured, pythonic library for representing and using quaternions
math-with-slack
Rendered math (MathJax) with Slack's desktop client
aiida-core
The official repository for the AiiDA code