fabian-paul

binding_HREMD

Hamiltonian replica exchange plugin (for ACEMD) for binding free energy calculations for protein-protein interaction (https://www.nature.com/articles/s41467-017-01163-6)

cache

squeezable memory cache

distributed-workers

Distributed computing system for WESTPA (for compute clusters)

fabian-paul.github.io

Build a Jekyll blog in minutes, without touching the command line.

karabiner-elements-german-latex

karabiner-elements Latex rules for German keyboard

simplex

🎆 Tools for building core set MSMs in TICA or VAMP space (https://arxiv.org/abs/1811.12551)

Tutorial_Bayesian_Filter_cPCF_data

Code for "Bayesian inference of kinetic schemes for ion channels by Kalman filtering" https://elifesciences.org/articles/62714

Tutorial_Patch-clamp_data

Code for "Bayesian inference of kinetic schemes for ion channels by Kalman filtering" https://elifesciences.org/articles/62714

PyEMMA

🚂 Python API for Emma's Markov Model Algorithms 🚂

fabian-paul/simplex

🎆 Tools for building core set MSMs in TICA or VAMP space (https://arxiv.org/abs/1811.12551)

fabian-paul/binding_HREMD

Hamiltonian replica exchange plugin (for ACEMD) for binding free energy calculations for protein-protein interaction (https://www.nature.com/articles/s41467-017-01163-6)

fabian-paul/cache

squeezable memory cache

fabian-paul/fabian-paul.github.io

Build a Jekyll blog in minutes, without touching the command line.

fabian-paul/distributed-workers

Distributed computing system for WESTPA (for compute clusters)

fabian-paul/karabiner-elements-german-latex

karabiner-elements Latex rules for German keyboard

fabian-paul/keyring

fabian-paul/Tutorial_Bayesian_Filter_cPCF_data

Code for "Bayesian inference of kinetic schemes for ion channels by Kalman filtering" https://elifesciences.org/articles/62714

fabian-paul/Tutorial_Patch-clamp_data

Code for "Bayesian inference of kinetic schemes for ion channels by Kalman filtering" https://elifesciences.org/articles/62714

fabian-paul/Metastable-states-of-apo-Abl

Data from the publication "Identification of druggable kinase target conformations using Markov model metastable states analysis of apo Abl" by Paul, Meng, and Roux

fabian-paul/msmtools

working title for new splitted msm package

fabian-paul/pycurl-requests

A Requests-compatible interface for PycURL.

fabian-paul/PyEMMA

Markov state model algorithms

fabian-paul/sarangi

string method, adaptive umbrella sampling and set-free Markov models

fabian-paul/vamp42

VAMP for two: Find the main kinetic dividing plane with VAMP (https://www.nature.com/articles/s41467-017-02388-1)

fabian-paul/wepy

Weighted Ensemble simulation framework in pure Python