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/bac
Fit bond additivity corrections
hwpang/DataDrivenEstimator
A package of data driven estimators for thermochemistry and kinetics
hwpang/intro2UnixandSGE
resource for unix and SGE beginners
hwpang/learn134k
hwpang/psi4numpy
Combining Psi4 and Numpy for education and development.