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- AtomisticQoIs.jl Public
Methods for computing expectation-valued quantities of interest (QoIs) from molecular dynamics simulation.
- lammps Public Forked from lammps/lammps
Public development project of the LAMMPS MD software package
- PotentialLearning.jl Public
PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamic workflows.
- Atomistic.jl Public
Package that provides a integrated Julia workflow for molecular dyanmics simulations.