Dominik Lemm | DeepAI

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research

∙ 03/31/2022

SELFIES and the future of molecular string representations

Artificial intelligence (AI) and machine learning (ML) are expanding in ...

0 Mario Krenn, et al. ∙

research

∙ 07/22/2020

Coarse Graining Molecular Dynamics with Graph Neural Networks

Coarse graining enables the investigation of molecular dynamics for larg...

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