Gilson Lab (UCSD)

Pinned Repositories

APR
Attach-release-pull: A free energy calculation workflow
Language:Python7 5 83
Isothermal-Titration-Calorimetry
Contains code for generating and fitting data for isothermal titration calorimetry
Language:Python01
itc_fit
Language:Python1 2 10
nonequilibrium
Language:Jupyter Notebook00
pAPRika
Advanced toolkit for binding free energy calculations
Language:Python31 7 9514
resources
01
SAMPL5-bootstrapping-error-analysis
Language:Jupyter Notebook11
SDLJ
Python code to partition electron densities and generate Lennard-Jones parameters
Language:Python00
Sensitivity-Analysis
a force field optimization tool
Language:C++3 3 20

Gilson Lab (UCSD)'s Repositories

GilsonLabUCSD/pAPRika
Advanced toolkit for binding free energy calculations
Language:Python31 7 9514
GilsonLabUCSD/APR
Attach-release-pull: A free energy calculation workflow
Language:Python7 5 83
GilsonLabUCSD/Sensitivity-Analysis
a force field optimization tool
Language:C++3 3 20
GilsonLabUCSD/itc_fit
Language:Python1 2 10
GilsonLabUCSD/SAMPL5-bootstrapping-error-analysis
Language:Jupyter Notebook11
GilsonLabUCSD/Isothermal-Titration-Calorimetry
Contains code for generating and fitting data for isothermal titration calorimetry
Language:Python01
GilsonLabUCSD/nonequilibrium
Language:Jupyter Notebook00
GilsonLabUCSD/resources
01
GilsonLabUCSD/SDLJ
Python code to partition electron densities and generate Lennard-Jones parameters
Language:Python00