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(communications chemistry 2023) Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification

Home Page: https://youjiazhang.github.io/SIGMA/

License: MIT License

Jupyter Notebook 71.95% Python 27.86% Shell 0.18%
deep-learning machine-learning gnn ccs gcn umap

sigmaccs's Introduction

Hi there πŸ‘‹

Sometimes there are some things that we can't express clearly in words.
A ✨picture✨ is worth a thousand words πŸ˜„

YoujiaZhang











Languages and Tools:

c cplusplus docker git go java linux opencv pandas python pytorch scikit_learn seaborn tensorflow

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