Pinned Repositories
chemprop
Message Passing Neural Networks for Molecule Property Prediction
academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
ChemicalCalculator
Chemical calculator
hwpang.github.io
LeetcodeSolutions
My solutions to Leetcode-type questions
PolymerFoulingModeling
A collection of scripts used for generating and simulating multi-phase chemical kinetic models for polymer fouling
RadicalTree
Code to generate subgraph isomorphic decision tree for hydrogen bond increments
AutoQM
ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
hwpang's Repositories
hwpang/LeetcodeSolutions
My solutions to Leetcode-type questions
hwpang/hwpang.github.io
hwpang/RadicalTree
Code to generate subgraph isomorphic decision tree for hydrogen bond increments
hwpang/academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
hwpang/ai-science-training-series
hwpang/ARC
ARC - Automatic Rate Calculator
hwpang/cantera
Chemical kinetics, thermodynamics, and transport tool suite
hwpang/ChemicalCalculator
Chemical calculator
hwpang/chemprop
Message Passing Neural Networks for Molecule Property Prediction
hwpang/PolymerFoulingModeling
A collection of scripts used for generating and simulating multi-phase chemical kinetic models for polymer fouling
hwpang/BaselineML
Implementing various baseline machine learning algorithms
hwpang/CoolProp
Thermophysical properties for the masses
hwpang/DiffEqDocs.jl
Documentation for the DiffEq differential equations and scientific machine learning (SciML) ecosystem
hwpang/easy_rmg_model
Contains some of the scripts and apis for easily build a model by RMG
hwpang/hyperopt
Distributed Asynchronous Hyperparameter Optimization in Python
hwpang/KinBot
Automated reaction pathway search for gas-phase molecules with C, H, O, N, and S atoms
hwpang/LightGraphs.jl
An optimized graphs package for the Julia programming language
hwpang/misc_scripts
Collection of scripts and IPython notebooks created for various projects.
hwpang/molssi_best_practices_workshop
hwpang/PracticeCpp
hwpang/pyrms
Python wrapper for the ReactionMechanismSimulator
hwpang/python-patterns
A collection of design patterns/idioms in Python
hwpang/ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
hwpang/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
hwpang/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
hwpang/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
hwpang/SimulationTools
hwpang/SymbolicUtils.jl
Expression rewriting and simplification
hwpang/textgenrnn
Easily train your own text-generating neural network of any size and complexity on any text dataset with a few lines of code.
hwpang/xgboost
Scalable, Portable and Distributed Gradient Boosting (GBDT, GBRT or GBM) Library, for Python, R, Java, Scala, C++ and more. Runs on single machine, Hadoop, Spark, Flink and DataFlow