Reinvent 4: Modern AI–driven generative molecule design

HH Loeffler, J He, A Tibo, JP Janet, A Voronov… - Journal of …, 2024 - Springer
REINVENT 4 is a modern open-source generative AI framework for the design of small
molecules. The software utilizes recurrent neural networks and transformer architectures to …

MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules

X Liu, W Zhang, X Tong, F Zhong, Z Li, Z **ong… - Journal of …, 2023 - Springer
Artificial intelligence (AI)-based molecular design methods, especially deep generative
models for generating novel molecule structures, have gratified our imagination to explore …

GT-NMR: a novel graph transformer-based approach for accurate prediction of NMR chemical shifts

H Chen, T Liang, K Tan, A Wu, X Lu - Journal of Cheminformatics, 2024 - Springer
In this work, inspired by the graph transformer, we presented an improved protocol, termed
GT-NMR, which integrates 2D molecular graph representation with Transformer architecture …

Processing Post-transformers

M Lal, M Bhende, S Sharma, P Thorat… - Proceedings of Fifth …, 2024 - books.google.com
This work investigates the growing transformer-based structures and cutting-edge
methodologies that extend beyond their use in the dynamic field of Natural Language …

Next-Gen Language Mastery: Exploring Advances in Natural Language Processing Post-transformers

M Lal, M Bhende, S Sharma, P Thorat, A Goel… - … on Cognitive Computing …, 2023 - Springer
This work investigates the growing transformer-based structures and cutting-edge
methodologies that extend beyond their use in the dynamic field of Natural Language …