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Multi_CycGT Public
Multi_CycGT: A DL-Based Multimodal Model for Membrane Permeability Prediction of Cyclic Peptides
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ConvBiHLA-pan-specific-peptide-HLA-class-I-binding-prediction-via-Convolutional-and-BiLSTM-features Public
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Python Updated
Apr 18, 2023 -
Reproducing-the-invention-of-a-named-reaction-Zero-shot-prediction-of-unseen-chemical-reactions Public
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Transformer-for-Atom-mapping Public
Code for 'Transformer:Linking the Atom Mapping and Neural Machine Translation' paper. All requirements for http://github.com/tensorflow/tensor2tensor
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This is the code for "Data augmentation and transfer learning strategies for reaction prediction in low chemical data regimes" paper.
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Python Updated
Aug 16, 2022 -
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Self-supervised-molecular-pretraining-strategy-for-low-resource-reaction-prediction-scenarios Public
This is the code for "Self-supervised molecular pretraining strategy for low-resource reaction prediction scenarios" paper. The preprint of this paper can be found in ChemRxiv with DOI: 10.33774/ch…
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From-Theory-to-Experiment-Transformer-Based-Generation-Enables-Rapid-Discovery-of-Novel-Reactions Public
This is the code for "From Theory to Experiment: Transformer-Based Generation Enables Rapid Discovery of Novel Reactions" paper
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This is the code for "A-graph-convolutional-neural-network-for-addressing-small-scale-reaction-prediction" paper.
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