Machine Learning Parameters of Optimally Tuned Range-Separated Hybrid Functionals for Transition Metal Complexes по Xiang-Yang Liu (1408399)

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Relative BAT: An Automated Tool for Relative Binding Free Energy Calculations by the Separated Topologies Approach по Germano Heinzelmann (177901)

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Relative BAT: An Automated Tool for Relative Binding Free Energy Calculations by the Separated Topologies Approach по Germano Heinzelmann (177901)

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Performance comparison on the NEU-DET dataset. по Jun Huang (127297)

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Performances of different loss functions. по Jun Huang (127297)

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Details of the BFAM. по Jun Huang (127297)

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UniRepLknet architecture overview. по Jun Huang (127297)

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The Star Operation feature–dimension expansion coefficient . по Jun Huang (127297)

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Heatmap comparison. по Jun Huang (127297)

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Illustration of the adaptively spatial feature fusion mechanism. по Jun Huang (127297)

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Performance comparison on the solar heating tape surface defect dataset. по Jun Huang (127297)

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Performances of different loss functions. по Jun Huang (127297)

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Experimental environment configuration. по Jun Huang (127297)

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Model performance comparison. по Jun Huang (127297)

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Structure of the SAMF-YOLO model. по Jun Huang (127297)

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Comparison of YOLOv8n, YOLOv11n and SAMF-YOLO. по Jun Huang (127297)

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Data augmentation. по Jun Huang (127297)

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Network hyperparameters. по Jun Huang (127297)

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How to Construct Diabatic States for Energy and Charge Transfer with Subsystem Quantum ChemistryA Tutorial по Anton Rikus (18079008)

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Transfer Learning for Predictive Molecular Simulations: Data-Efficient Potential Energy Surfaces at CCSD(T) Accuracy по Silvan Käser (9261566)

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