most citedMetalic: Meta-Learning In-Context with Protein Language Models

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physics.chem-ph2025

Machine Learning Interatomic Potentials: library for efficient training, model development and simulation of molecular systems

Christoph Brunken, Olivier Peltre, Heloise Chomet +11

Machine Learning Interatomic Potentials (MLIP) are a novel in silico approach for molecular property prediction, creating an alternative to disrupt the accuracy/speed trade-off of…