Lv211
168 积分 2024-04-01 加入
Graphormer-IR: Graph Transformers Predict Experimental IR Spectra Using Highly Specialized Attention
14天前
已完结
Molecular representation contrastive learning via transformer embedding to graph neural networks
23天前
已完结
Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules
23天前
已完结
Large-scale chemical language representations capture molecular structure and properties
26天前
已完结
A deep learning model for predicting selected organic molecular spectra
1个月前
已完结
Neural network approach for predicting infrared spectra from 3D molecular structure
1个月前
已完结
Infrared Spectra Prediction for Functional Group Region Utilizing a Machine Learning Approach with Structural Neighboring Mechanism
1个月前
已完结
Machine learning methods for pKa prediction of small molecules: Advances and challenges
2个月前
已完结
MolRoPE-BERT: An enhanced molecular representation with Rotary Position Embedding for molecular property prediction
3个月前
已完结
Machine Learning methods in Astronomy
3个月前
已完结
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