Josh Horton (@jthorton)
github

jthorton

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Top repositories

1

de-forcefields

Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules
Python
19
star
2

QUBEKitdev

QUBEKit for psi4
Python
3
star
3

double-exp-vdw

Experimental fits of a double expoential force field.
HTML
3
star
4

nagl-mbis

Testing out GCNN for charge and volume prediction
Python
1
star
5

MSM_QCArchive

Calculating Modified Seminario Method Bond and Angle parameters from QCArchive
Jupyter Notebook
1
star