invemichele
Computational Scientist - Intrinsically Disordered Proteins, AI for Science
@PeptoneLtdSwitzerland
Pinned Repositories
flow_diagrams
lammps
Public development project of the LAMMPS MD software package
learned-replica-exchange
Skipping the replica exchange ladder with normalizing flows
masterclass-22-03
Repository of the data for PLUMED Masterclass 22.3
opes
Rethinking Metadynamics: From Bias Potentials to Probability Distributions
OPES-ala2
Simple examples of different OPES target distributions, using alanine dipeptide in vacuum
OPES-explore
Exploration vs Convergence Speed in Adaptive-bias Enhanced Sampling
OPES-flooding
Rare Event Kinetics from Adaptive Bias Enhanced Sampling
OPESexpanded
Unified Approach to Enhanced Sampling
plumed2
Development version of plumed 2
invemichele's Repositories
invemichele/masterclass-22-03
Repository of the data for PLUMED Masterclass 22.3
invemichele/learned-replica-exchange
Skipping the replica exchange ladder with normalizing flows
invemichele/opes
Rethinking Metadynamics: From Bias Potentials to Probability Distributions
invemichele/OPES-explore
Exploration vs Convergence Speed in Adaptive-bias Enhanced Sampling
invemichele/OPES-ala2
Simple examples of different OPES target distributions, using alanine dipeptide in vacuum
invemichele/OPESexpanded
Unified Approach to Enhanced Sampling
invemichele/lammps
Public development project of the LAMMPS MD software package
invemichele/OPES-flooding
Rare Event Kinetics from Adaptive Bias Enhanced Sampling
invemichele/plumed2
Development version of plumed 2
invemichele/flow_diagrams
invemichele/masterclass-22-12
Data for PLUMED Masterclass 22.12 - Liquid-solid chemical potential differences with the environment similarity CV
invemichele/plumed-nest
Draft nest
invemichele/rigid-flows
invemichele/VESdeltaF
Making the Best of a Bad Situation: A Multiscale Approach to Free Energy Calculation