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310 积分 2025-05-06 加入
The Selective Chemistry of Single Walled Carbon Nanotubes
2个月前
已完结
The Selective Chemistry of Single Walled Carbon Nanotubes
3个月前
已完结
GraphLIME: Local Interpretable Model Explanations for Graph Neural Networks
6个月前
已完结
Explainable Graph Neural Networks in Chemistry: Combining Attribution and Uncertainty Quantification
6个月前
已完结
Pretraining graph transformer for molecular representation with fusion of multimodal information
7个月前
已完结
Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations
8个月前
已完结
A deep learning model for predicting selected organic molecular spectra
8个月前
已完结
ChiENN: Embracing Molecular Chirality with Graph Neural Networks
8个月前
已完结
Deep peak property learning for efficient chiral molecules ECD spectra prediction
8个月前
已完结
Machine‐Learning‐Driven G‐Quartet‐Based Circularly Polarized Luminescence Materials
8个月前
已完结
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