licheng-xu-echo

Li-Cheng Xu（徐丽成）'s repositories

A Molecular Stereostructure Descriptor based on Spherical Projection

Language:Jupyter NotebookMIT12 10

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

Language:PythonMIT9 10

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

Language:Jupyter NotebookMIT600

This repository hosts a suite of scripts designed for comprehensive end-to-end reaction barrier calculations.

Language:PythonMIT100

Open source code for AlphaFold.

Language:PythonApache-2.0000

Language:PythonMIT000

nothing interesting

Language:Python010

Python 黑魔法手册

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Neural Network Force Field based on PyTorch

Language:Jupyter NotebookMIT000

Open Source Neural Machine Translation in PyTorch

Language:PythonMIT000

The database of chemical parameters used with Reaction Mechanism Generator

Language:Python000

This is the code repository for "The First World Science Intelligence Contest: Quantum Chemistry Track"

Language:PythonMIT010