tica

There are 0 repository under tica topic.

markovmodel / PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
python hidden-markov-model molecular-dynamics analysis markov-state-model tica time-series hmm bayesian-methods markov-model mbar kinetic-modeling umbrella-sampling molecular-modeling
Language:Python 304
msmbuilder / msmbuilder
:building_construction: Statistical models for biomolecular dynamics :building_construction:
molecular-dynamics python msmbuilder dimensionality-reduction hmm feature-extraction tica pca markov-model clustering analysis
Language:Python 151
markovmodel / molPX
IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook
visualization tica jupyter-notebook ipython-notebook widget molecular-dynamics free-energy
Language:Python 38
sbhakat / PAP-review-inputs
How one can use binary classifiers, variational auto-encoder, TICA, PCA, distance and dihedral order parameters as CVs in context of pepsin-like aspartic proteases e.g. BACE1 and plasmepsin-II.
paps tica svm-classifier passiveaggressiveclassifier plumed2 metadynamics variational-autoencoder aspartic-proteases molecular-dynamics plasmepsin
Language:Jupyter Notebook 4
sbhakat / BPTI-TICA-waterdynamics
tICA to capture local loop motion. Describes how to analyse loop movement using TICA and how to run PT-Metad using TIC vectors
machine-learning metadynamics molecular-dynamics bpti timescale tica
Language:Jupyter Notebook 2
DEIB-GECO / TICA_v2
Enhancement project for TICA, and web application for external users
tica
Language:JavaScript

tica

markovmodel / PyEMMA

msmbuilder / msmbuilder

markovmodel / molPX

sbhakat / PAP-review-inputs

sbhakat / BPTI-TICA-waterdynamics

DEIB-GECO / TICA_v2