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Eugene Kwan's Projects

cctk icon cctk

Python-based library for working with computational chemistry files

jprogdyn icon jprogdyn

Quasiclassical and classical dynamics with Gaussian

mandor2 icon mandor2

protein design algorithms for peptides

mina icon mina

distributed parallel computing in Java with Apache MINA

polaroid icon polaroid

automated snapshots of genomic positions using IGV

pykie icon pykie

NMR methods for KIE determination

pyplate_old icon pyplate_old

tool to design chemistry experiments in plate format

pyquiver icon pyquiver

kinetic isotope effect prediction with Gaussian

quiver icon quiver

calculates KIEs with the Bigeleisen-Mayer equation and tunnelling corrections

velocity icon velocity

a Python package for running kinetic simulations

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