12 results found Sort:

deepmodeling
deepmd-kit deepmodeling
484
1.4k
lgpl-3.0
47
A deep learning package for many-body potential energy representation and molecular dynamics
c ase cpp ipi cuda rocm deepmd lammps nodejs python pytorch tensorflow deep-learning potential-energy materials-science molecular-dynamics computational-chemistry
Created 2017-12-12
2,501 commits to r2 branch, last one about a month ago
pyiron
pyiron pyiron
46
334
bsd-3-clause
16
pyiron - an integrated development environment (IDE) for computational materials science.
ase dft ide hdf5 vasp lammps pyiron python ab-initio simulation molecular-dynamics development-environment
Created 2018-03-22
7,506 commits to main branch, last one 25 days ago
dftd4
dftd4 dftd4
42
147
lgpl-3.0
10
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
ase pyscf qcschema quantum-chemistry dispersion-correction computational-chemistry fortran-package-manager
Created 2019-02-28
208 commits to main branch, last one 2 months ago
beautiful-atoms
beautiful-atoms beautiful-atoms
21
124
gpl-3.0
3
Python module for drawing and rendering beautiful atoms and molecules using Blender.
3d ase atoms atomic python blender crystal protein molecule pymatgen rendering ribbon-diagram
Created 2021-10-15
927 commits to main branch, last one 21 days ago
DataAction
AdoNetCore.AseClient DataAction
43
106
apache-2.0
19
AdoNetCore.AseClient - a .NET Core DB Provider for SAP ASE
ase sap tds driver sybase ado-net netcore netcore2 dbprovider connectionstrings
Created 2017-11-24
508 commits to master branch, last one 3 years ago
elcorto
pwtools elcorto
11
60
bsd-3-clause
9
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
1,373 commits to master branch, last one 9 months ago
hrbrmstr
swatches hrbrmstr
1
56
other
7
🎨 Read, Inspect, Manipulate, and Save (ASE-only for save) Color Swatch Files
aco ase rstats swatch swatches rstats-package
Created 2015-03-21
17 commits to master branch, last one 2 years ago
hsulab
GDPy hsulab
7
52
gpl-3.0
2
Generating Deep Potential with Python
ase lammps automation monte-carlo molecular-dynamics machine-learning-interatomic-potential
Created 2021-04-06
1,966 commits to main branch, last one about a month ago
SSAGESLabs
PySAGES SSAGESLabs
23
51
other
8
Python Suite for Advanced General Ensemble Simulations
ase jax miccom openmm python pysages hoomd-blue gpu-support hacktoberfest enhanced-sampling collective-variables scientific-machine-learning
Created 2020-09-05
537 commits to main branch, last one 4 days ago
Ashung
import-colors-sketch Ashung
8
50
mit
5
Import colors from macOS CLR, Photoshop ACO/ACT, Illustrator ASE, GIMP GPL, Sketch, Text file to Sketch color variables.
aco act ase clr sketch palette swatches sketch-app sketch-theme sketch-plugin sketch-plugins sketch-color-variables
Created 2019-02-15
50 commits to master branch, last one about a year ago
millionart
NodesDifferencesBetweenShadergraphAndAmplifyShaderEditor millionart
2
46
unknown
4
Nodes Differences Between Shadergraph And AmplifyShaderEditor
ase unity shader shadergraph amplifyshadereditor
Created 2022-04-10
21 commits to main branch, last one 3 months ago
dagronf
ColorPaletteCodable dagronf
5
34
mit
2
A color palette/gradient reader/writer for a growing set of file formats. Swift (macOS, iOS, tvOS, watchoOS, macCatalyst, Linux)
aco ase clr ggr ios tvos adobe macos swift palette gradient nscolorlist
Created 2022-05-16
192 commits to main branch, last one about a month ago