atlite: A Lightweight Python Package for Calculating Renewable Power Potentials and Time Series

Benchmark Suite for Machine Learning Interatomic Potentials for Materials

python Generator of REnewable Time series and mAps

Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.

Massively Parallel Gravitational Potential Calculator and Voxelizer Python Interface

Atomic Dataset Generator for training ML potentials

Python implementation of the anisotropic Gay-Berne potential

QGIS plugin for computing potentials