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Awesome mybinder examples for material science
README.md

Awesome mybinder examples for material science

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Accelerating your research, requires trying new tools and applying them to your research projects. To simplify this process we compiled a list of tools which are available on mybinder and can be tested directly in your browser with just click of a button. Above you see an example of testing the quantum espresso DFT code, which previously required downloading the code, installing the required dependencies and finally compiling it. We found that many researchers struggle with this process, which hinders their research as well as the spread of new methods. We therefore started to compile this list of general examples. You can try them online or download the corresponding repositories and run the example locally.

Theory

Density Functional Theory

Name Repository Documentation MyBinder Mybinder Repository
Abinit 📦 📚 Binder 🚀
CP2K 📦 📚 Binder 🚀
GPAW 📦 📚 Binder 🚀
pyrho 📦 📚 Binder 🚀
Quantum Espresso 📦 📚 Binder 🚀
Siesta 📦 📚 Binder 🚀
S/PHI/nX 📦 📚 Binder 🚀

Molecular Dynamics

Name Repository Documentation MyBinder Mybinder Repository
LAMMPS 📦 📚 Binder 🚀
OpenKIM 📦 📚 Binder 🚀
PyLammpsMPI 📦 📚 Binder 🚀
yaff 📦 📚 Binder 🚀

Structure Analysis

Name Repository Documentation MyBinder Mybinder Repository
Ovito 📦 📚 Binder 🚀
pyscal 📦 📚 Binder 🚀

Cluster Expansion

Name Repository Documentation MyBinder Mybinder Repository
clease 📦 📚 Binder 🚀
icet 📦 📚 Binder 🚀

Thermo Dynamics

Name Repository Documentation MyBinder Mybinder Repository
DynaPhoPy 📦 📚 Binder 🚀
ESPEI 📦 📚 Binder 🚀
phonoLAMMPS 📦 📚 Binder 🚀
Phonopy 📦 📚 Binder 🚀
pycalphad 📦 📚 Binder 🚀
pymatnest 📦 📚 Binder 🚀

Potential Fitting

Name Repository Documentation MyBinder Mybinder Repository
AtomicRex 📦 📚 Binder 🚀
kliff 📦 📚 Binder 🚀
n2p2 📦 📚 Binder 🚀
fitsnap 📦 📚 Binder 🚀

Simulation Frameworks

Name Repository Documentation MyBinder Mybinder Repository
AiiDa 📦 📚 Binder 🚀
ASE 📦 📚 Binder 🚀
pyiron 📦 📚 Binder 🚀

Utilities

Name Repository Documentation MyBinder Mybinder Repository
Matminer 📦 📚 Binder 🚀
Mendeleev 📦 📚 Binder 🚀

Experiment

Name Repository Documentation MyBinder Mybinder Repository
TEMMETA 📦 📚 Binder 🚀
match-series 📦 📚 Binder 🚀

Other

Development

Name Repository Documentation MyBinder Mybinder Repository
Code Server 📦 📚 Binder 🚀
MPI4py 📦 📚 Binder 🚀
Voila Dashboards 📦 📚 Binder 🚀

TeX Environment

Name Repository Documentation MyBinder Mybinder Repository
Jupyter Lab Latex 📦 📚 Binder 🚀

Pinned Loading

  1. ase-examples ase-examples Public

    A series of ASE examples, introducing the basic functionality and how to use the interfaces for cp2k, gpaw, lammps, openkim, quantum-espresso and siesta. All dependencies are available on conda-forge.

    Jupyter Notebook 7 4

  2. nomad-lab-vasp-parser nomad-lab-vasp-parser Public

    Benchmark Nomad Lab Parser

    Jupyter Notebook 2

  3. DAMASK-example DAMASK-example Public

    Forked from vitesh13/DAMASK_workflows

    Jupyter notebook based workflows for DAMASK simulations

    Jupyter Notebook 2 2

  4. lammps-tutorials lammps-tutorials Public

    Forked from mrkllntschpp/lammps-tutorials

    LAMMPS tutorials for Beginners

    Jupyter Notebook 1 1

  5. LAMMPS-free-energy-example LAMMPS-free-energy-example Public

    Forked from freitas-rodrigo/FreeEnergyLAMMPS

    Examples demonstrating how to reproduce the results in the paper.

    Jupyter Notebook 1

  6. quantum-espresso-example quantum-espresso-example Public

    Jupyter Notebook 1 2

Repositories

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