Kasson laboratory

Kasson laboratory software repositories

Pinned Repositories

brer-md
Python package for running bias-resampling ensemble refinement (BRER) simulations.
Language:Python10
copernicus
Copernicus
Language:Python11
covid19-epi
Individual-based epidemiological modeling for COVID-19
Language:C5 13 115
gmxapi
(outdated) fork of https://gitlab.com/gromacs/gromacs
Language:C++52 7 16213
gmxapi-scripts
Language:Python21
gmxapi-tutorials
Python examples and tutorial material for gmxapi 0.3 on GROMACS 2022
Language:Jupyter Notebook8 2 54
gromacs-gmxapi
Forked from the canonical GROMACS distribution, this repository supports the latests and greatest features of gmxapi that are not otherwise available.
Language:C++13
mRMR-DEER
selection of residues for DEER spectroscopy using mRMR feature selection
Language:Python12
porin_permeation
Language:Python00
positionalmi
code for calculation and analysis of positional mutual information
Language:Python21

Kasson laboratory's Repositories

kassonlab/gmxapi
(outdated) fork of https://gitlab.com/gromacs/gromacs
Language:C++52 7 16213
kassonlab/gmxapi-tutorials
Python examples and tutorial material for gmxapi 0.3 on GROMACS 2022
Language:Jupyter Notebook8 2 54
kassonlab/covid19-epi
Individual-based epidemiological modeling for COVID-19
Language:C5 13 115
kassonlab/gmxapi-scripts
Language:Python21
kassonlab/positionalmi
code for calculation and analysis of positional mutual information
Language:Python21
kassonlab/brer-md
Python package for running bias-resampling ensemble refinement (BRER) simulations.
Language:Python10
kassonlab/copernicus
Copernicus
Language:Python11
kassonlab/gromacs-gmxapi
Forked from the canonical GROMACS distribution, this repository supports the latests and greatest features of gmxapi that are not otherwise available.
Language:C++13
kassonlab/mRMR-DEER
selection of residues for DEER spectroscopy using mRMR feature selection
Language:Python12
kassonlab/keras_bn_library
keras extended library
Language:Python0 2 00
kassonlab/porin_permeation
Language:Python00
kassonlab/restrained-ensemble
Modified version of restrained-ensemble simulation from https://pubs.acs.org/doi/abs/10.1021/jp3110369
Language:C++00
kassonlab/run_brer
Python package for running bias-resampling ensemble refinement (BRER) simulations
Language:Python0 4 263
kassonlab/singularity-brer
Singularity recipe that can be used to build a container for BRER simulations.
0 4 01
kassonlab/zika-kinetics
Language:Python0 2 00
kassonlab/brer_plugin
Language:C++3 62
kassonlab/copernicus-images
Language:Shell
kassonlab/coronavirus-chimera-prediction
Code for generating and predicting coronavirus chimeras
Language:Python1 0
kassonlab/correlation_structure
Package for estimating correlation structure in distributional data using MD simulation
Language:Python
kassonlab/flavivirus-cellular-automaton
Cellular automaton model for flavivirus membrane fusion
Language:MATLAB
kassonlab/fusion-shape-analysis
Language:C++
kassonlab/fusionmodel
Language:MATLAB
kassonlab/Jamel
Language:Python
kassonlab/lipid-converter
kassonlab/micrograph-spot-analysis
Language:Matlab
kassonlab/MIMatrix
C++/OpenMP code for fast calculation of mutual information matrix
Language:C
kassonlab/sample_restraint
Language:C++3
kassonlab/SCALE-MS
NSF Award 1835449
1 0
kassonlab/sterol_analysis
code corresponding to Zawada et al., 2016
Language:Python
kassonlab/Syntaxin-EESM-Analysis
Language:Jupyter Notebook