Pinned Repositories
af2cv
Python script to convert Alphafold output to collective variable
anncolvar
Collective variables by artificial neural networks
docking4structbioinf
Docking and virtual screening tutorial for Structural bioinformatics
Dockingtutorial
Protein-ligand docking and virtual screening tutorial
FlyingGaussianTutorial
Flying Gaussian Tutorial
mc_syntax_for_Plumed
Syntax highlight of plumed.dat files in Midnight Commander
md4structbioinf
Molecular dynamics simulation tutorial for Structural biology
metadynminer
Package for reading, analysis and visualization of metadynamics HILLS
metadynminer3d
Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)
tltsne
Time-lagged t-SNE of molecular trajectories
spiwokv's Repositories
spiwokv/metadynminer
Package for reading, analysis and visualization of metadynamics HILLS
spiwokv/metadynminer3d
Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)
spiwokv/tltsne
Time-lagged t-SNE of molecular trajectories
spiwokv/anncolvar
Collective variables by artificial neural networks
spiwokv/af2cv
Python script to convert Alphafold output to collective variable
spiwokv/Rtutorial
Introduction to statistics and visualisation in R
spiwokv/encodetraj
Autoencoders for molecular trajectory analysis
spiwokv/mdtsne
Barnes-Hut t-Distributed Stochastic Neighbor Embedding (t-SNE) for analysis of molecular dynamics trajectories
spiwokv/ptltsne-visualizations
Visualizations of free energy surfaces calculated by parametric time-lagged tSNE metadynamics
spiwokv/biostatistika1
spiwokv/cloud4structbioinf
Step by step setup of Metacentrum cloud for Structural Bioinformatics course
spiwokv/distancefield
Calculates distance field for protein-ligand free energy modelling
spiwokv/foldingmode
spiwokv/hillstube
HILLS repo
spiwokv/jumpcount
Estimation of uncertainties of molecular simulations
spiwokv/masterclass-2022
spiwokv/metadyn_view
Tool for fast and lightweight vizualization of metadynamic results
spiwokv/metadyndiet
spiwokv/metadynminer-masterclass
spiwokv/metadynminer.py
Python package for efficient analysis of HILLS files generated by Plumed metadynamics simulations. Inspired by the Metadynminer package for R.
spiwokv/metadynminer_server
Analysis of data by metadynminer package
spiwokv/metadynminerdata
spiwokv/parmtSNEcv
Parametric tSNE collective variable
spiwokv/pip
The PyPA recommended tool for installing Python packages
spiwokv/plumed-nest
Draft nest
spiwokv/plumed-nest-test
spiwokv/plumed2
Development version of plumed 2
spiwokv/plumed_nest_by_spiwokv
Archive of data shared on www.plumed-nest.org
spiwokv/ptltsne
Parametric time-lagged t-SNE
spiwokv/tutICA
Tunable time-lagged independent component analysis