mengyuXu-chem

mengyuXu-chem's Stars

• karelplanken/pourbaix

  This project reports a method to generate Pourbaix diagrams using Python and the pymatgen package.

  Language:Python51

• spfrommer/torchexplorer

  Interactively inspect module inputs, outputs, parameters, and gradients.

  Language:Python27016

• scikit-learn/scikit-learn

  scikit-learn: machine learning in Python

  Language:Python59.8k25.4k

• licheng-xu-echo/SyntheticSpacePrediction

  This is a repository for paper "Holistic Prediction of Synthetic Space by Implementing Transition State Knowledge in Machine Learning"

  Language:Jupyter Notebook76

• licheng-xu-echo/AHO

  This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".

  Language:Python103