ANI-1ccx

The 'ANI-1ccx' dataset is a benchmark that contains quantum-mechanical data used to evaluate the performance and stability of neural network potentials in molecular simulations.

Papers using ANI-1ccx (3)

Basic stability tests of machine learning potentials for molecular simulations in computational drug discovery2025 · 5 citesEnsemble Knowledge Distillation for Machine Learning Interatomic Potentials2025Transfer learning for chemically accurate interatomic neural network potentials2022