Pinned Repositories
Algorithms
For algorithm learning
deltaVinaXGB
This is a machine-learning based protein-ligand scoring function.
DTNN_7ib
This is a deep learning model used to predict molecular energy
Frag20_prepare
This is a package for data generation from 1D to 3D include conformation generation, file conversion, MMFF and QM calculation, data base preparation
HappyHotel
Data Challenge Project
NYC_airport
This is Airline analysis for NYC airports presented in 1st Data Science for All: Woman's Summit
Pursearch
This is a project for Insight Fellow Program
PyTorch_Learning
This is a repository for learning pytorch tutorials
Recipe2Cuisine
This is a data challenge for week 5, and finished in 4 hours
Steam_Game
This is a project for steam game owners prediction
jenniening's Repositories
jenniening/deltaVinaXGB
This is a machine-learning based protein-ligand scoring function.
jenniening/Pursearch
This is a project for Insight Fellow Program
jenniening/DTNN_7ib
This is a deep learning model used to predict molecular energy
jenniening/Frag20_prepare
This is a package for data generation from 1D to 3D include conformation generation, file conversion, MMFF and QM calculation, data base preparation
jenniening/NYC_airport
This is Airline analysis for NYC airports presented in 1st Data Science for All: Woman's Summit
jenniening/Steam_Game
This is a project for steam game owners prediction
jenniening/HappyHotel
Data Challenge Project
jenniening/Recipe2Cuisine
This is a data challenge for week 5, and finished in 4 hours
jenniening/Algorithms
For algorithm learning
jenniening/PyTorch_Learning
This is a repository for learning pytorch tutorials
jenniening/Python_TensorFlow_Tutorials
This is tutorials for applying basic TensorFlow functions.
jenniening/software-development
A primer on software development best practices for computational chemistry
jenniening/awesome-deep-learning-papers
The most cited deep learning papers
jenniening/GNN_molecules
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
jenniening/PhysNet
Code for training PhysNet models
jenniening/QuantumGNN_molecules
Quantum graph neural network (quantum GNN) for molecular property prediction.