hwpang Goto Github PK

academicpages.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

ai-science-training-series

arc

ARC - Automatic Rate Calculator

bac

Fit bond additivity corrections

baselineml

Implementing various baseline machine learning algorithms

cantera

Chemical kinetics, thermodynamics, and transport tool suite

chemicalcalculator

Chemical calculator

chemprop

Message Passing Neural Networks for Molecule Property Prediction

coding-interview-university

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

coolprop

Thermophysical properties for the masses

datadrivenestimator

A package of data driven estimators for thermochemistry and kinetics

diffeqdocs.jl

Documentation for the DiffEq differential equations and scientific machine learning (SciML) ecosystem

easy_rmg_model

Contains some of the scripts and apis for easily build a model by RMG

hwpang.github.io

hyperopt

Distributed Asynchronous Hyperparameter Optimization in Python

intro2unixandsge

resource for unix and SGE beginners

kinbot

Automated reaction pathway search for gas-phase molecules with C, H, O, N, and S atoms

learn134k

leetcodesolutions

My solutions to Leetcode-type questions

lightgraphs.jl

An optimized graphs package for the Julia programming language

misc_scripts

Collection of scripts and IPython notebooks created for various projects.

molssi_best_practices_workshop

polymerfoulingmodeling

A collection of scripts used for generating and simulating multi-phase chemical kinetic models for polymer fouling

practicecpp

psi4numpy

Combining Psi4 and Numpy for education and development.

pyrms

Python wrapper for the ReactionMechanismSimulator

python-patterns

A collection of design patterns/idioms in Python

radicaltree

Code to generate subgraph isomorphic decision tree for hydrogen bond increments

rdkit

The official sources for the RDKit library

reactionmechanismsimulator.jl

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms