Wang-Group

2D-XRD-Modelling

This code is based on matlab for PXRD (Powder X-ray Diffraction) simulation.

AI4Science_TPAML

This is a packup repository to share collected raw data, machine learning codes for the AI4Science competition.

Anomaly-Detection-for-Selective-Catalysis

Anomaly Detection Algorithm for Searching Selective Catalyst Differentiating Linear and Cyclic Alkanes in Oxidation

CPC-code

Cu-CO2RR_modifiers

This is a packup repository to share collected raw data, machine learning codes of paper named "Modifiers Tuning C2+ Selectivity in CO2 Electroreduction by Reduction Potential: Combining Data-driven Machine Learning and Hypothesis-driven Experimentation"

Machine-learning-for-Cu-CO2RR

This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst for Selective Electrochemical CO2 Reduction" from XMU Wang-group.

random-forest-for-Hf-BTB-MOL

TPAML

Wang-Group-CO2RR-for-metal-organic-interphase

wSterimol

Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents

Wang-Group/Machine-learning-for-Cu-CO2RR

This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst for Selective Electrochemical CO2 Reduction" from XMU Wang-group.

Wang-Group/CPC-code

Wang-Group/TPAML

Wang-Group/2D-XRD-Modelling

This code is based on matlab for PXRD (Powder X-ray Diffraction) simulation.

Wang-Group/AI4Science_TPAML

This is a packup repository to share collected raw data, machine learning codes for the AI4Science competition.

Wang-Group/Anomaly-Detection-for-Selective-Catalysis

Anomaly Detection Algorithm for Searching Selective Catalyst Differentiating Linear and Cyclic Alkanes in Oxidation

Wang-Group/Cu-CO2RR_modifiers

This is a packup repository to share collected raw data, machine learning codes of paper named "Modifiers Tuning C2+ Selectivity in CO2 Electroreduction by Reduction Potential: Combining Data-driven Machine Learning and Hypothesis-driven Experimentation"

Wang-Group/random-forest-for-Hf-BTB-MOL

Wang-Group/Wang-Group-CO2RR-for-metal-organic-interphase

Wang-Group/wSterimol

Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents