fabian-paul
Supporting R&D in industry and public sector with digitalization and data science.
IAVBerlin
Pinned Repositories
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's Repositories
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