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

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

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

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

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

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Details of the BFAM. by Jun Huang (127297)

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UniRepLknet architecture overview. by Jun Huang (127297)

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

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Heatmap comparison. by Jun Huang (127297)

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

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

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

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Experimental environment configuration. by Jun Huang (127297)

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Model performance comparison. by Jun Huang (127297)

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

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

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Data augmentation. by Jun Huang (127297)

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Network hyperparameters. by Jun Huang (127297)

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

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

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