zhiyuwang0911 Goto Github PK

activetransfer

ads5350_project_avl_deliverysystem

alchemy

attention-based-pooling-for-quantum-properties

Source code accompanying the 'Modelling local and general quantum mechanical properties with attention-based pooling' paper

avl_tree_dsa_project1

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

coding-interview-university

A complete computer science study plan to become a software engineer.

data_structure_avl_tree

dsa_finalproject_randomforest-decisiontree

DSA final project

eel_5840_machine_learning_final_project

graph_attention_implementations

🧑‍🏫 60 Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, sophia, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠

ishiftml

Predicting CCSD(T)/CBS level chemical shieldings for H/C/N/O using wB97X-V/pcSseg-1 level DFT calculations

machine-learning

machine-learning-book

Code Repository for Machine Learning with PyTorch and Scikit-Learn

machine-learning-for-aromic-charge-prediction-in-single-atom-catalysts

magnet.pytorch

A PyTorch implementation of `MagNet: a Two-Pronged Defense against Adversarial Examples`

matdeeplearn

MatDeepLearn, package for graph neural networks in materials chemistry

megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

modelbasedtl

Code for the paper "Predicting thermophysical properties through model-based transfer learning using graph convolutional networks"

molpmofit_transfer

multi-fidelity-gnns-for-drug-discovery-and-quantum-mechanics

Source code accompanying the 'Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting' paper

project_programming_for_data_science-egn5445-

py_mgcn

MGCN: Semi-supervised Classification in Multi-layer Graphs with Graph Convolutional Networks

schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

scipt_gaussian_vasp_orca

script

solvation_energy_prediction

This repo contains the codes to run solvation free energy prediction.

taag_attention_transfer

Open Catalyst Project's library of machine learning methods for catalysis

tl_mof

A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks

transfer_learning_in_catalysis

zhiyuwang0911

Config files for my GitHub profile.