A PhD student in Theoretical and Computational Chemistry.
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Zhejiang University
- Hangzhou, China
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SyntheticSpacePrediction
SyntheticSpacePrediction PublicThis is a repository for paper "Holistic Prediction of Synthetic Space by Implementing Transition State Knowledge in Machine Learning"
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TCQC
TCQC PublicThis is the code repository for "The First World Science Intelligence Contest: Quantum Chemistry Track"
Python
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RXNBarrier
RXNBarrier PublicThis repository hosts a suite of scripts designed for comprehensive end-to-end reaction barrier calculations.
Python 1
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