Physics-Inspired Structural Representations for Molecules and Materials

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Physics-Inspired Structural Representations for Molecules and Materials

Graph-based deep learning frameworks for molecules and solid-state materials - ScienceDirect

Physics-Inspired Structural Representations for Molecules and Materials

Molecular graph representations and SELFIES: A 100% robust molecular string representation

Inverse molecular design using machine learning: Generative models for matter engineering

Molecular representations for machine learning applications in chemistry - Raghunathan - 2022 - International Journal of Quantum Chemistry - Wiley Online Library

Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation

Molecular representations for machine learning applications in chemistry - Raghunathan - 2022 - International Journal of Quantum Chemistry - Wiley Online Library

PDF] Physics-Inspired Structural Representations for Molecules and Materials.

Physics-Inspired Structural Representations for Molecules and Materials