Ken-ichi Nomura | DeepAI

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research

∙ 03/14/2023

Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization

Neural-network quantum molecular dynamics (NNQMD) simulations based on m...

0 Hikaru Ibayashi, et al. ∙

research

∙ 12/02/2022

Multiscale Graph Neural Networks for Protein Residue Contact Map Prediction

Machine learning (ML) is revolutionizing protein structural analysis, in...

0 Kuang Liu, et al. ∙

research

∙ 11/06/2020

Physic-informed Neural-Network Software for Molecular Dynamics Applications

We have developed a novel differential equation solver software called P...

0 Taufeq Mohammed Razakh, et al. ∙