CompPhotoChem / SPaiNN Star 6 Code Issues Pull requests Combining SchNet, PaiNN and SHARC – Bridging the Gap between Machine Learning and Photoinduced Dynamics machine-learning neural-network molecular-dynamics-simulation excited-states photochemistry schnetpack Updated Mar 12, 2025 Jupyter Notebook
LierB / schnetpack_chargeprediction Star 0 Code Issues Pull requests SchNetPack - Deep Neural Networks for Atomistic Systems deep-neural-networks atomistic-machine-learning schnetpack schnet atomistic-neural-network Updated Jan 8, 2026 Python
Asif-Iqbal-Bhatti / SchNetModel1.0_on_MaterialProjectDatabase Star 0 Code Issues Pull requests SchNetPack Model on Material Project Database learning machine materialsproject schnetpack Updated May 21, 2023 Python
smausenberger / MACEPack Star 0 Code Issues Pull requests A SchNetPack compatible MACE representation. machine-learning neural-network quantum-chemistry mace schnetpack Updated Jun 23, 2026 Python