ase topic

List ase repositories

deepmd-kit

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A deep learning package for many-body potential energy representation and molecular dynamics

ase-notebook

27
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8
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Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.

GDPy

52
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7
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Generating Deep Potential with Python

opengsq-python

24
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4
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Python library designed for querying game servers. It supports 24 different query protocols and has been downloaded over 34,000 times.

PySAGES

63
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25
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Python Suite for Advanced General Ensemble Simulations

swatches-to-ase

29
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4
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Convert Procreate Swatches files to ASE format (Adobe Swatch Exchange). Can be used for importing Procreate palettes into Photoshop or other programs like Illustrator or Affinity Designer.

ColorPaletteCodable

34
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5
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A color palette/gradient reader/writer for a growing set of file formats. Swift (macOS, iOS, tvOS, watchoOS, macCatalyst, Linux)

simple-dftd3

42
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19
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reimplementation of the DFT-D3 program

MAZE-sim

18
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1
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This project aims to extend the Atomic Simulation Environment (ASE) to more naturally represent the properties of zeolites and facilitate the calculations required to determine their properties.