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Nanjing University
- @MarriotteNJU
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DeepMoleNet
DeepMoleNet PublicDeep learning for molecules quantum chemistry properties prediction
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megnet
megnet PublicForked from materialsvirtuallab/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
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RT_Transformer_Smiles
RT_Transformer_Smiles Publicdeep neural network model coupled with graph attention network (GAT) and 1D-Transformer to predict Rention Time
Python 1
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rexgen_direct
rexgen_direct PublicForked from connorcoley/rexgen_direct
Template-free prediction of organic reaction outcomes
Jupyter Notebook
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