Pinned Repositories
PSAnalysisTutorial
Examples and data for performing path similarity analysis (PSA).
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
blogScripts
Repository for code used in my blog posts
CythonGSL
Cython interface for the GNU Scientific Library (GSL).
datreant.core
persistent, pythonic trees for heterogeneous data
datreant.data
Convenient data storage and retrieval for Treants
DEPImaging
For (post-)processing of microscopy/imaging data from DEP experiments.
HERMESHD
HERMESHD is a discontinuous Galerkin 3D fluctuating hydrodynamics code for nanoscale fluid simulation
MoleCalc-2.0
sseyler's Repositories
sseyler/HERMESHD
HERMESHD is a discontinuous Galerkin 3D fluctuating hydrodynamics code for nanoscale fluid simulation
sseyler/MoleCalc-2.0
sseyler/blogScripts
Repository for code used in my blog posts
sseyler/CythonGSL
Cython interface for the GNU Scientific Library (GSL).
sseyler/datreant.core
persistent, pythonic trees for heterogeneous data
sseyler/datreant.data
Convenient data storage and retrieval for Treants
sseyler/DEPImaging
For (post-)processing of microscopy/imaging data from DEP experiments.
sseyler/molecalc
MoleCalc is a web interface that allows anyone to build molecules and calculate molecular properties online
sseyler/ppqm
Enable cheminformatics and quantum chemistry
sseyler/PSAnalysis
Quantify the geometric and atomistic similarity of conformational transition pathways
sseyler/PSAnalysisTutorial
Examples and data for performing path similarity analysis (PSA).
sseyler/examples
Code examples from the book.
sseyler/fireworks
The Fireworks Workflow Management Repo.
sseyler/github-for-developers-7
sseyler/GromacsWrapper
GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools into python scripts. This is generally superior to shell scripts because of python’s better error handling and superior data structures. It also allows for modularization and code re-use. In addition, commands, warnings and errors are logged to a file so that there exists a complete history of what has been done.
sseyler/lammps
Public development project of the LAMMPS MD software package
sseyler/mastering-pycharm-course
Course demos and handouts for Talk Python's Effective PyCharm course
sseyler/mdanalysis
MDAnalysis is a Python toolkit to analyze molecular dynamics trajectories.
sseyler/MDAnalysis.github.io
MDAnalysis home page mdanalysis.org as GitHub pages.
sseyler/MDSynthesis
a logistics and persistence engine for the analysis of molecular dynamics trajectories
sseyler/mdworks
molecular dynamics, with Fireworks!
sseyler/mongodb-quickstart-course
Course demos and handout material for Talk Python's MongoDB Quickstart course
sseyler/numba_tutorial_scipy2016
Numba tutorial materials for Scipy 2016
sseyler/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
sseyler/scipy-2015-cython-tutorial
Content for the SciPy 2015 Cython tutorial: http://www.scipy2015.scipy.org/ehome/115969/289057/?&
sseyler/scipy-2016
abstract submission and presentation materials for SciPy 2016
sseyler/scipy-2017-cython-tutorial
Material for the SciPy 2017 Cython tutorial
sseyler/scipy_proceedings
SciPy conference proceedings: MDAnalysis paper
sseyler/seaborn
Statistical data visualization using matplotlib
sseyler/trackpy-examples
sample images, examples, and speed tests for trackpy