Pinned Repositories
Hydration-Energy-Prediction-Pt111-ML
This repository contains code for the prediction of hydration energies of adsorbates at Pt(111) and liquid water interfaces using machine learning models. The code includes the calculation of molecular descriptors, feature selection, model training, and performance evaluation.
jasonmayday.github.io
LeetCode
My LeetCode Solutions
Neural-Network-Architecture-Diagrams
Diagrams for visualizing neural network architecture (Created with diagrams.net)
Predicting-CO2-Absorption-in-Ionic-Liquid-with-Molecular-Descriptors-and-Explainable-GNN
Data and code for Predicting CO2 Absorption in Ionic Liquid with Molecular Descriptors and Explainable Graph Neural
summer_school_1st_DFT
Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
summer_school_2nd_MDMC
Repository for material from the 2020 MC/MD Summer Workshop
summer_school_3rd_sampling
Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling
jasonmayday's Repositories
jasonmayday/LeetCode
My LeetCode Solutions
jasonmayday/jasonmayday.github.io
jasonmayday/Neural-Network-Architecture-Diagrams
Diagrams for visualizing neural network architecture (Created with diagrams.net)
jasonmayday/Predicting-CO2-Absorption-in-Ionic-Liquid-with-Molecular-Descriptors-and-Explainable-GNN
Data and code for Predicting CO2 Absorption in Ionic Liquid with Molecular Descriptors and Explainable Graph Neural
jasonmayday/summer_school_1st_DFT
Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
jasonmayday/summer_school_2nd_MDMC
Repository for material from the 2020 MC/MD Summer Workshop
jasonmayday/summer_school_3rd_sampling
Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling