pypi.org "MD" keyword
View the packages on the pypi.org package registry that are tagged with the "MD" keyword.
Top 7.2% on pypi.org
23 versions - Latest release: 3 months ago - 1 dependent package - 2 dependent repositories - 2.53 thousand downloads last month - 87 stars on GitHub - 2 maintainers
vermouth 0.13.0
Describe and apply transformation on molecular structures and topologies23 versions - Latest release: 3 months ago - 1 dependent package - 2 dependent repositories - 2.53 thousand downloads last month - 87 stars on GitHub - 2 maintainers
asposepdfcloud 25.4.0
Aspose.PDF Cloud72 versions - Latest release: 1 day ago - 3 dependent repositories - 1.68 thousand downloads last month - 13 stars on GitHub - 2 maintainers
Top 4.8% on pypi.org
11 versions - Latest release: 9 months ago - 4 dependent packages - 9 dependent repositories - 3.75 thousand downloads last month - 114 stars on GitHub - 1 maintainer
pymatgen-analysis-diffusion 2024.7.15
Pymatgen add-on for diffusion analysis.11 versions - Latest release: 9 months ago - 4 dependent packages - 9 dependent repositories - 3.75 thousand downloads last month - 114 stars on GitHub - 1 maintainer
mdforce 0.0.0
MDForce is a package to calculate the force field, potential energy and related data in molecular...1 version - Latest release: over 3 years ago - 1 dependent repositories - 64 downloads last month - 1 stars on GitHub - 1 maintainer
mdbrew 2.5.7
Postprocessing tools for the Molecular Dynamics simulation87 versions - Latest release: 10 months ago - 188 downloads last month - 3 stars on GitHub - 1 maintainer
thotpy 5.5.1
The Text enHancement & Optimization for scienTific research with Python, or just ThothPy, allows ...7 versions - Latest release: 3 months ago - 307 downloads last month - 4 stars on GitHub - 1 maintainer
pymolar 0.8.2
python bindings for molar3 versions - Latest release: about 1 month ago - 67 downloads last month - 25 stars on GitHub - 1 maintainer
aimmd 0.9.1.dev2
aimmd (AI for Molecular Mechanism Discovery) autonomously steers (a large number of) molecular dy...2 versions - Latest release: 2 months ago - 78 downloads last month - 13 stars on GitHub - 1 maintainer
mdproptools 0.0.6
mdproptools contains MD analysis tools4 versions - Latest release: 23 days ago - 1 dependent package - 1 dependent repositories - 273 downloads last month - 11 stars on GitHub - 1 maintainer
biobb-amber 5.0.4
Biobb_amber is a BioBB category for AMBER MD package.16 versions - Latest release: 3 months ago - 1 dependent repositories - 511 downloads last month - 7 stars on GitHub - 3 maintainers
asyncmd 0.3.2
asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations u...1 version - Latest release: 3 months ago - 470 downloads last month - 9 stars on GitHub - 1 maintainer
lammps-step 2025.4.9
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.60 versions - Latest release: 10 days ago - 1 dependent repositories - 1.47 thousand downloads last month - 2 stars on GitHub - 1 maintainer
mlyzed 0.2.1
Molecular dynamics post-processing toolbox2 versions - Latest release: 12 days ago - 52 downloads last month - 1 stars on GitHub - 1 maintainer
aton 0.6.7
The Ab-iniTiO & Neutron research toolbox, or ATON, provides powerful and comprehensive tools for ...109 versions - Latest release: 22 days ago - 6.2 thousand downloads last month - 1 stars on GitHub - 1 maintainer
aspose-html-net 25.4.0
Aspose.HTML for Python via .NET is a powerful API for Python that provides a headless browser fun...11 versions - Latest release: 16 days ago - 1.01 thousand downloads last month - 1 maintainer
vendor-color-swatches-py 0.0.0
Use color swatches/palettes from popular providers (Material Design, Ant, TailwindCSS)1 version - Latest release: over 2 years ago - 64 downloads last month - 1 maintainer
pystallone 1.0.0b7
Python binding for Stallone java library5 versions - Latest release: about 10 years ago - 2 dependent repositories - 162 downloads last month - 1 maintainer
gomartini 0.1.0
1 version - Latest release: over 1 year ago - 69 downloads last month - 1 maintainerv7py 0.7
1C:Enterprice v7.7 MD reader and SQL parser7 versions - Latest release: over 9 years ago - 2 dependent repositories - 149 downloads last month - 16 stars on GitHub - 1 maintainer
qm-scripts 0.1.2
A set of scripts useful for analyzing outputs and setup inputs in quantum chemistry2 versions - Latest release: almost 7 years ago - 1 dependent repositories - 66 downloads last month - 0 stars on GitHub - 1 maintainer
dookumentation 1.2.0
StandAlone Async single-file cross-platform no-dependenciesUnicode Python3 Multi-Format Auto Docu...2 versions - Latest release: over 9 years ago - 2 dependent repositories - 178 downloads last month - 13 stars on GitHub - 1 maintainer
mbn-tools 0.1
Useful tools for MBN Explorer simulations and analysis1 version - Latest release: about 1 year ago - 37 downloads last month - 1 stars on GitHub - 1 maintainer
mdscribe 0.5.4
A Toolset For Molecular Dynamics4 versions - Latest release: about 2 months ago - 601 downloads last month - 0 stars on GitHub - 1 maintainer
streamm 0.3.2
The Simulation Toolkit for Renewable Energy and Advanced Materials Modeling (STREAMM)1 version - Latest release: over 7 years ago - 1 dependent repositories - 32 downloads last month - 1 maintainer
mdrun 0.1.5
Submission of MD runs to HPC with PBS1 version - Latest release: about 8 years ago - 1 dependent repositories - 58 downloads last month - 7 stars on GitHub - 1 maintainer
pyl3dmdtest 0.0.23 removed
Python LAMMPS 3-Dimensional Molecular Dynamics/Descriptors21 versions - Latest release: about 2 years ago - 1 maintainer
Related Keywords
molecular-dynamics
6
Molecular Dynamics
5
science
4
analysis
3
molecular-dynamics-simulation
3
python
3
structure
3
lammps
3
molecular dynamics
3
LAMMPS
3
HTML
3
Phonopy
2
trajectory
2
HTML-to-PDF
2
EPUB-to-PDF
2
high performance computing
2
HPC
2
dynamics
2
Text
2
TIFF
2
GIF
2
martini
2
Quantum ESPRESSO
2
Density Functional Theory
2
DFT
2
GROMACS
2
Convert
2
Converter
2
diffusion
2
HTML5
2
project
2
materials
2
electronic
2
gaussian
2
martinize
2
Aspose
2
PDF
2
EPUB
2
Python
2
SVG
2
XPS
2
Markdown
2
DOCX
2
BMP
2
PNG
2
JPEG
2
Amber
2
Skewing
1
Fill
1
Dots
1
Bitmap
1
HTML-to-Image
1
Aspose.Total
1
HTML-to-XPS
1
Aspose.HTML
1
CASTEP
1
Ab-initio
1
HTML-to-DOCX
1
HTML-to-MHTML
1
HTML-to-Markdown
1
vectorize
1
INS
1
HTML-to-MD
1
Inelastic Neutron Scattering
1
Spectra
1
EPUB-to-Image
1
Neutron research
1
Neutron
1
vectorization
1
EPUB-to-XPS
1
Aton
1
Markdown-to-HTML
1
vectorizer
1
MD-to-HTML
1
Line-Annotation
1
dom-manipulation
1
image
1
Library
1
Microsoft
1
mvc
1
net-standard
1
netcore
1
netstandard
1
to PDF
1
converter
1
rotate
1
security
1
Standard
1
convert
1
XPath
1
Windows
1
Conholdate.Total
1
Vector Graphics
1
DOM
1
line
1
Bezier Curves
1
Cubic
1
Glyphs
1
Paths
1
Conholdate
1