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310 积分 2025-05-06 加入
The Selective Chemistry of Single Walled Carbon Nanotubes
7个月前
已完结
The Selective Chemistry of Single Walled Carbon Nanotubes
7个月前
已完结
GraphLIME: Local Interpretable Model Explanations for Graph Neural Networks
11个月前
已完结
Explainable Graph Neural Networks in Chemistry: Combining Attribution and Uncertainty Quantification
11个月前
已完结
Pretraining graph transformer for molecular representation with fusion of multimodal information
11个月前
已完结
Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations
1年前
已完结
A deep learning model for predicting selected organic molecular spectra
1年前
已完结
ChiENN: Embracing Molecular Chirality with Graph Neural Networks
1年前
已完结
Deep peak property learning for efficient chiral molecules ECD spectra prediction
1年前
已完结
Machine‐Learning‐Driven G‐Quartet‐Based Circularly Polarized Luminescence Materials
1年前
已完结
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