Chemistry | Molecular Biology | Pharmacology Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing. January 5, 2024
Chemistry | Materials Science | Physics Ultrahigh Oxygen Ion Mobility in Ferroelectric Hafnia. January 5, 2024
Chemistry | Environmental Science An improved prediction model for COD measurements using UV-Vis spectroscopy. January 4, 2024
Bioinformatics | Chemistry | Molecular Biology Machine-guided path sampling to discover mechanisms of molecular self-organization. January 4, 2024
Chemistry | Computer Science | Molecular Biology Deep contrastive learning of molecular conformation for efficient property prediction. January 4, 2024
Chemistry | Materials Science High-throughput property-driven generative design of functional organic molecules. January 4, 2024
Chemistry | Spectroscopy A deep learning model for predicting selected organic molecular spectra. January 4, 2024
Chemistry | Engineering | Materials Science A universal graph deep learning interatomic potential for the periodic table. January 4, 2024
Chemistry | Quantum Physics Towards a transferable fermionic neural wavefunction for molecules. January 3, 2024
Chemistry | Environmental Science The adsorption and release mechanism of different aged microplastics toward Hg(II) via batch experiment and the deep learning method. January 1, 2024
Chemistry | Environmental Science | Machine Learning Deep convolutional neural networks for aged microplastics identification by Fourier transform infrared spectra classification. December 30, 2023