Physics-Inspired Structural Representations for Molecules and Materials

Frontiers Deep Generative Models for Materials Discovery and Machine Learning-Accelerated Innovation

PDF) Physics-Inspired Structural Representations for Molecules and Materials

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

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

Atomistic neural network representations for chemical dynamics simulations of molecular, condensed phase, and interfacial systems: Efficiency, representability, and generalization - Zhang - 2023 - WIREs Computational Molecular Science - Wiley Online

Physics-Inspired Structural Representations for Molecules and Materials

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

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

Structure motif–centric learning framework for inorganic crystalline systems

Molecules, Free Full-Text

Biomimetics, Free Full-Text

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

Physics-inspired structural representations for molecules and materials

Graph neural networks for materials science and chemistry

Geometric deep learning on molecular representations