A deep learning package for many-body potential energy representation and molecular dynamics
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Updated
Nov 21, 2024 - C++
A deep learning package for many-body potential energy representation and molecular dynamics
pyiron - an integrated development environment (IDE) for computational materials science.
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
AdoNetCore.AseClient - a .NET Core DB Provider for SAP ASE
Python Suite for Advanced General Ensemble Simulations
Mobile App Analysis and Testing Literature
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.
Generating Deep Potential with Python
Nodes Differences Between Shadergraph And AmplifyShaderEditor
Library first implementation of the D3 dispersion correction
Import colors from macOS CLR, Photoshop ACO/ACT, Illustrator ASE, GIMP GPL, Sketch, Text file to Sketch color variables.
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
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.
Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
Updated version of Chris Mohler's python-fu script, to import ASE (Kuler, Color CC) palettes into GIMP
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