chapincavender
Postdoctoral fellow with Open Force Field Initiative and Gilson lab at UC San Diego. Molecular dynamics, computational chemistry, and biopolymer force fields.
Open Force Field Initiative
Pinned Repositories
arg_forks
Analyze arginine-RNA interactions
forcebalance
Systematic force field optimization.
itc_two_site_fit
Fit ITC data to a model with two interdependent and non-equivalent binding sites.
loos
LOOS: a lightweight object-oriented structure analysis library
protein-benchmark-data
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
openff-forcefields
Force fields produced by the Open Force Field Initiative
openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
chapincavender's Repositories
chapincavender/arg_forks
Analyze arginine-RNA interactions
chapincavender/forcebalance
Systematic force field optimization.
chapincavender/itc_two_site_fit
Fit ITC data to a model with two interdependent and non-equivalent binding sites.
chapincavender/loos
LOOS: a lightweight object-oriented structure analysis library
chapincavender/protein-benchmark-data
chapincavender/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python