Postdoctoral fellow with Open Force Field Initiative and Gilson lab at UC San Diego.
Molecular dynamics, computational chemistry, and biopolymer force fields.
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Open Force Field Initiative
- https://openforcefield.org/
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forcebalance Public
Forked from leeping/forcebalanceSystematic force field optimization.
Python Other UpdatedJun 26, 2024 -
itc_two_site_fit Public
Fit ITC data to a model with two interdependent and non-equivalent binding sites.
Python MIT License UpdatedJul 5, 2021 -
protein-benchmark-data Public
TeX Creative Commons Attribution 4.0 International UpdatedJun 23, 2021 -
arg_forks Public
Analyze arginine-RNA interactions
Python GNU General Public License v3.0 UpdatedSep 9, 2020 -
loos Public
Forked from GrossfieldLab/loosLOOS: a lightweight object-oriented structure analysis library
C++ GNU General Public License v3.0 UpdatedAug 6, 2020 -
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedJul 9, 2020