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1. periodicplots periodicplots Public

   PeriodicPlots - a tool for drawing vector matplotlib-based Periodic Tables with colour-coded property values.

   Python 1

2. crystalvase crystalvase Public

   Tool for generating true vector figures of ASE structures with matplotlib.

   Python 1

3. ml-gas-surface ml-gas-surface Public

   Instructions and scripts for fast and accurate gas-surface dynamics

   Jupyter Notebook 2 1

4. acease acease Public

   ASE-compatible ACE calculator

   Python 1 2

5. NQCD/FrictionProviders.jl NQCD/FrictionProviders.jl Public

   Friction calculators for ML models

   Julia 2

6. NQCD/NQCDynamics.jl NQCD/NQCDynamics.jl Public

   Fast and flexible nonadiabatic molecular dynamics in Julia!

   Julia 70 7