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Author

Ya-Nan Tian

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Open access Sep 2026

Task-adaptive multimodal molecular representations for structure-sensitive property prediction

CAMF (Chirality- and Activity-cliff-aware Multimodal Framework), a task-adaptive framework that models SSPs through selective integration of complementary molecular evidence, reveals that modality relevance is strongly task-dependent, with descriptors and 3D geometry becoming especially important in non-smooth property...

Shaolong Lin, Si-Long Zhai, Shi-Hang Wang et al. · 0 citations
Jul 2026

TPS-Flow: Physics-Guided Flow-Based Generative Modeling of Protein Transition Paths.

TPS-Flow is presented, a physics-guided flow-based generative framework for end point-conditioned conformational path sampling between predefined protein states (not equilibrium ensembles), thereby bridging atomistic simulation and deep generative modeling of protein transition paths.

Kai Xu, Likun Zhao, Yanan Tian et al. · 0 citations

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