AIMNet2 hands-on tutorial: nine notebooks from a single-point energy to chemical reactivity. AiMat Summer School 2026, Machine Learning for Molecules
-
Updated
Sep 17, 2026 - Jupyter Notebook
#
aimnet2
Here are 2 public repositories matching this topic...
Solvated ligand conformational strain energy for 7887 PDB ligands with the AIMNet2-CPCM neural network potential (Gokcan and Isayev, JCIM 2026)
-
Updated
Sep 21, 2026 - Python
Add this topic to your repo
To associate your repository with the aimnet2 topic, visit your repo's landing page and select "manage topics."