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A deep learning package for many-body potential energy representation and molecular dynamics
Created
2017-12-12
3,155 commits to r3.0 branch, last one 7 days ago
pyiron - an integrated development environment (IDE) for computational materials science.
Created
2018-03-22
7,561 commits to main branch, last one 14 days ago
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Created
2019-02-28
224 commits to main branch, last one 15 days ago
Python module for drawing and rendering beautiful atoms and molecules using Blender.
Created
2021-10-15
927 commits to main branch, last one 7 months ago
AdoNetCore.AseClient - a .NET Core DB Provider for SAP ASE
Created
2017-11-24
508 commits to master branch, last one 3 years ago
Python Suite for Advanced General Ensemble Simulations
Created
2020-09-05
578 commits to main branch, last one 19 days ago
Mobile App Analysis and Testing Literature
Created
2021-04-20
85 commits to main branch, last one 2 months ago
Generating Deep Potential with Python
Created
2021-04-06
2,137 commits to main branch, last one 4 months ago
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 so...
ase
cp2k
cpmd
lammps
python
sqlite
preprocessing
postprocessing
parameter-sweep
quantum-espresso
kernel-regression
molecular-dynamics
polynomial-regression
radial-basis-function
kernel-ridge-regression
multivariate-regression
quasi-harmonic-approximation
radial-distribution-function
radial-pair-correlation-function
Created
2016-02-05
1,393 commits to master branch, last one 5 months ago
Nodes Differences Between Shadergraph And AmplifyShaderEditor
Created
2022-04-10
37 commits to main branch, last one 4 months ago
Library first implementation of the D3 dispersion correction
Created
2019-11-09
127 commits to main branch, last one 10 days ago
🎨 Read, Inspect, Manipulate, and Save (ASE-only for save) Color Swatch Files
Created
2015-03-21
17 commits to master branch, last one 2 years ago
Import colors from macOS CLR, Photoshop ACO/ACT, Illustrator ASE, GIMP GPL, Sketch, Text file to Sketch color variables.
Created
2019-02-15
50 commits to master branch, last one 2 years ago
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
Created
2020-04-12
91 commits to master branch, last one about a year ago
A color palette/gradient reader/writer for a growing set of file formats. Swift (macOS, iOS, tvOS, watchoOS, macCatalyst, Linux)
Created
2022-05-16
248 commits to main branch, last one 8 days ago