luigibonati
Postdoctoral researcher Atomistic Simulations, IIT, Genoa, Italy >> Machine learning for enhanced sampling simulations <<
Italian Institute of Technology (IIT)Genoa, Italy
Pinned Repositories
academic-cv
ase
Atomic Simulation Environment: A Python library for working with atoms
data-driven-CVs
Supporting material for the paper "Data driven collective variables for enhanced sampling"
deep-learning-slow-modes
Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"
deep-ves-data
Supporting data for the DEEP-VES paper
fessa-color-palette
masterclass-plumed
md-stateinterpreter
mlcolvar
A unified framework for machine learning collective variables for enhanced sampling simulations
plumed2
Development version of plumed 2
luigibonati's Repositories
luigibonati/mlcolvar
A unified framework for machine learning collective variables for enhanced sampling simulations
luigibonati/deep-learning-slow-modes
Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"
luigibonati/data-driven-CVs
Supporting material for the paper "Data driven collective variables for enhanced sampling"
luigibonati/masterclass-plumed
luigibonati/md-stateinterpreter
luigibonati/fessa-color-palette
luigibonati/deep-ves-data
Supporting data for the DEEP-VES paper
luigibonati/academic-cv
luigibonati/ase
Atomic Simulation Environment: A Python library for working with atoms
luigibonati/resume
luigibonati/conda
Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)
luigibonati/luigibonati.github.io
luigibonati/plumed2
Development version of plumed 2
luigibonati/plumed2-devel
Development version of PLUMED2 plugin for enhanced sampling simulations, synced with https://github.com/plumed/plumed2
luigibonati/flare
An open-source Python package for creating fast and accurate interatomic potentials.
luigibonati/gromacs-plumed-docker
luigibonati/jupyter-cluster
luigibonati/mlcvs-redirect
Dummy repository to redirect mlcvs to mlcolvar
luigibonati/MLSummerSchoolVienna2022
ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
luigibonati/opes
Rethinking Metadynamics: From Bias Potentials to Probability Distributions
luigibonati/vienna-exercises
Hands-on session on Free energies and enhanced sampling - ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"