@cesmix-mit
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cesmix-mit

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  • Stars
    star
    125
  • Global Org. Rank 51,853 (Top 17 %)
  • Registered about 4 years ago
  • Most used languages
    Julia
         75.0 %
    JetBrains MPS     8.3 %
    Shell
         8.3 %
    C++
         8.3 %

Top repositories

1

LAMMPS.jl

Julia
34
star
2

InteratomicPotentials.jl

Contains methods and types for a variety interatomic potentials.
Julia
27
star
3

PotentialLearning.jl

PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamic workflows.
Julia
21
star
4

Atomistic.jl

Package that provides a integrated Julia workflow for molecular dyanmics simulations.
Julia
15
star
5

AtomisticComposableWorkflows

Provide easy-to-use CESMIX-aligned case studies. Integrate the latest developments of the Julia atomistic ecosystem and state-of-the-art tools.
JetBrains MPS
7
star
6

Cairn.jl

Enhanced sampling algorithms for the active learning of machine learning interatomic potentials (ML-IPs), implemented in Julia.
Julia
6
star
7

PotentialUQ.jl

Perform UQ for learned potentials
5
star
8

InteratomicBasisPotentials.jl

Extension of InteratomicPotentials.jl that contains machine learning potentials.
Julia
4
star
9

MDP

C++
2
star
10

pod-examples

POD fitting and MD examples to supplement the LAMMPS implementation
Shell
2
star
11

MLP

A Julia package for fitting ML potentials
Julia
1
star
12

TapirSchedulers.jl

Julia
1
star
13

FluxUtils.jl

Julia
1
star