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GRACE is a novel 3D predictor for collision cross sections in ion mobility mass spectrometry, using geometric residual adduct conditioning via early fusion to improve accuracy and generalization.
Tried the new update of Apodex 1.1 and found significant improvements in task processing, 3D molecular view rendering, and incremental computation, making it very suitable for researchers.
PETA proposes a parameter-efficient framework for test-time adaptation in virtual screening, improving performance by updating only LayerNorm parameters during inference.