This is the public archive with ID 45be0f9bc2ae5d6277e36f701fbb0f6d created
on 2025-07-24 10:30:38 by William Bro-Jørgensen, CHEM <wbj@chem.ku.dk>.
Archive Meta Data
Author(s)
Moritz Bensberg, Marco Eckhoff, F. Emil Thomasen, William Bro-Jørgensen, Matthew S. Teynor, Valentina Sora, Thomas Weymuth, Raphael T. Husistein, Frederik E. Knudsen, Anders Krogh, Kresten Lindorff-Larsen, Markus Reiher, and Gemma C. Solomon
Title
mlp_qm_training_data_software
Description
Training data and software for training the machine learning potentials for the paper "Machine Learning Enhanced Calculation of Quantum-Classical Binding Free Energies"
