Discover @ekwan Open Source projects

Eugene Kwan (@ekwan)

ekwan

Stars
50
Global Rank 341,187 (Top 12 %)
Followers 51
Registered almost 11 years ago
Most used languages

Python
33.3 %

Java
33.3 %

Jupyter Notebook
25.0 %

Fortran
8.3 %
Location 🇺🇸 United States
Country Total Rank 78,582
Country Ranking

Fortran
882

Java
8,867

PyQuiver

kinetic isotope effect prediction with Gaussian

cctk

Python-based library for working with computational chemistry files

Jprogdyn

Quasiclassical and classical dynamics with Gaussian

PyPlate

utilities

scripts for computational chemistry

velocity

a Python package for running kinetic simulations

Jupyter Notebook

PyPlate_old

tool to design chemistry experiments in plate format

mandor2

protein design algorithms for peptides

quiver

calculates KIEs with the Bigeleisen-Mayer equation and tunnelling corrections

zhulong

autonomous optimization

Jupyter Notebook

PyKIE

NMR methods for KIE determination

Jupyter Notebook

mina

distributed parallel computing in Java with Apache MINA