Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "lammps" keyword
lindemann 0.6.0
lindemann is a python package to calculate the Lindemann index of a lammps trajectory as well as...9 versions - Latest release: over 1 year ago - 1 dependent repositories - 153 downloads last month - 15 stars on GitHub - 1 maintainer
Top 9.5% on pypi.org
108 versions - Latest release: about 1 month ago - 8 dependent packages - 1 dependent repositories - 990 downloads last month - 36 stars on GitHub - 5 maintainers
pyiron-atomistics 0.5.4
An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX an...108 versions - Latest release: about 1 month ago - 8 dependent packages - 1 dependent repositories - 990 downloads last month - 36 stars on GitHub - 5 maintainers
nmrformd 0.1.1
Calculate dipolar NMR relaxation time from molecular dynamics trajectory file9 versions - Latest release: 11 months ago - 1 dependent repositories - 232 downloads last month - 18 stars on GitHub - 1 maintainer
Top 3.4% on pypi.org
45 versions - Latest release: 2 months ago - 25 dependent packages - 12 dependent repositories - 34.7 thousand downloads last month - 187 stars on GitHub - 1 maintainer
dpdata 0.2.18
Manipulating data formats of DeePMD-kit, VASP, QE, PWmat, and LAMMPS, etc.45 versions - Latest release: 2 months ago - 25 dependent packages - 12 dependent repositories - 34.7 thousand downloads last month - 187 stars on GitHub - 1 maintainer
gemdat 1.2.1
Generalized Molecular Dynamics Analysis Tool10 versions - Latest release: 2 months ago - 44 downloads last month - 18 stars on GitHub - 2 maintainers
dftfit 0.5.1
Ab-Initio Molecular Dynamics Potential Development45 versions - Latest release: almost 5 years ago - 1 dependent repositories - 297 downloads last month - 26 stars on GitHub - 1 maintainer
Top 7.1% on pypi.org
57 versions - Latest release: 5 months ago - 1 dependent package - 2 dependent repositories - 261 downloads last month - 326 stars on GitHub - 5 maintainers
pyiron 0.5.2
pyiron - an integrated development environment (IDE) for computational materials science.57 versions - Latest release: 5 months ago - 1 dependent package - 2 dependent repositories - 261 downloads last month - 326 stars on GitHub - 5 maintainers
aces 0.17
A python framework for computational physics numerical experiments.8 versions - Latest release: almost 7 years ago - 1 dependent repositories - 43 downloads last month - 22 stars on GitHub - 1 maintainer
kim-property 2.6.1
kim-property - KIM-PROPERTY utility module.15 versions - Latest release: 3 months ago - 1 dependent repositories - 169 downloads last month - 5 stars on GitHub - 2 maintainers
pytim 0.9.0
Python Tool for Interfacial Molecules Analysis18 versions - Latest release: over 2 years ago - 1 dependent repositories - 276 downloads last month - 76 stars on GitHub - 1 maintainer
lammps-doc 0.0.3
3 versions - Latest release: almost 2 years ago - 1 dependent repositories - 18 downloads last month - 1 maintainerzkdumpreader 0.0.7
zkdumpreader reads lammps dump file to check if bound molecules are sepeareted7 versions - Latest release: about 3 years ago - 1 dependent repositories - 15 downloads last month - 1 maintainer
aiida-lammps 1.0.2
AiiDA plugin for the LAMMPS code4 versions - Latest release: about 2 months ago - 1 dependent repositories - 220 downloads last month - 22 stars on GitHub - 1 maintainer
nnmdkit 0.1.0
Automated generation of LAMMPS data and input files for polymer molecular dynamics simulations1 version - Latest release: over 2 years ago - 1 dependent repositories - 7 downloads last month - 10 stars on GitHub - 1 maintainer
lammpys 2.4.2
My python tools for LAMMPS calculation16 versions - Latest release: about 6 years ago - 1 dependent repositories - 27 downloads last month - 1 maintainer
Top 7.6% on pypi.org
119 versions - Latest release: about 1 year ago - 2 dependent repositories - 578 downloads last month - 241 stars on GitHub - 1 maintainer
moltemplate 2.20.20
A general cross-platform text-based molecule builder for LAMMPS119 versions - Latest release: about 1 year ago - 2 dependent repositories - 578 downloads last month - 241 stars on GitHub - 1 maintainer
lammps-parse 0.1.0
Input file writers and output file parsers for Lammps.1 version - Latest release: almost 5 years ago - 1 dependent repositories - 16 downloads last month - 3 stars on GitHub - 1 maintainer
pylammpstrj 1.0.2
Processing LAMMPS trajectory files.9 versions - Latest release: 5 months ago - 69 downloads last month - 1 maintainer
genpot 1.3.0
Generate potential files used by LAMMPS6 versions - Latest release: about 1 year ago - 30 downloads last month - 5 stars on GitHub - 1 maintainer
pyscal2 2.10.21
Python library written in C++ for calculation of local atomic structural environment4 versions - Latest release: 7 months ago - 1 dependent package - 265 downloads last month - 56 stars on GitHub - 2 maintainers
pylammpsmpi 0.2.18
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python...33 versions - Latest release: about 2 months ago - 4 dependent packages - 1 dependent repositories - 612 downloads last month - 27 stars on GitHub - 4 maintainers
gdpx 0.0.9
Automate computational chemistry/materials sciance and machine learning interatomic potential tra...7 versions - Latest release: about 1 month ago - 58 downloads last month - 49 stars on GitHub - 1 maintainer
lammps-cython 0.6.2
Pythonic Wrapper to LAMMPS using cython23 versions - Latest release: almost 5 years ago - 2 dependent repositories - 105 downloads last month - 1 stars on GitLab.com - 1 maintainer
lammps-helper 0.1.4
Helps with LAMMPS input/output3 versions - Latest release: almost 4 years ago - 1 dependent repositories - 20 downloads last month - 4 stars on GitHub - 1 maintainer
radonpy-pypi 0.2.9
RadonPy is a Python library to automate physical property calculations for polymer informatics.4 versions - Latest release: 6 months ago - 233 downloads last month - 119 stars on GitHub - 1 maintainer
lammpsio 0.5.0
Python tools for working with LAMMPS8 versions - Latest release: about 1 month ago - 1 dependent package - 1 dependent repositories - 731 downloads last month - 5 stars on GitHub - 1 maintainer
ejplugins 0.11.1
parser plugins for jsonextended25 versions - Latest release: over 5 years ago - 1 dependent repositories - 56 downloads last month - 1 maintainer
Top 9.8% on pypi.org
36 versions - Latest release: about 1 year ago - 3 dependent packages - 1 dependent repositories - 544 downloads last month - 107 stars on GitHub - 1 maintainer
dynaphopy 1.17.15
dynaphopy module36 versions - Latest release: about 1 year ago - 3 dependent packages - 1 dependent repositories - 544 downloads last month - 107 stars on GitHub - 1 maintainer
vipster 1.19.1
A pre- and post-processing toolkit for atomistic simulations.4 versions - Latest release: over 3 years ago - 1 dependent repositories - 84 downloads last month - 22 stars on GitHub - 1 maintainer
lammps-simulator 1.3.1
Python interface for running LAMMPS input scripts8 versions - Latest release: over 1 year ago - 1 dependent repositories - 40 downloads last month - 6 stars on GitHub - 1 maintainer
colvars 0.1
Collective variables module for molecular simulation and analysis programs1 version - Latest release: 10 months ago - 1 dependent repositories - 165 stars on GitHub - 1 maintainer
mdproptools 0.0.4
mdproptools contains MD analysis tools2 versions - Latest release: 11 months ago - 1 dependent package - 1 dependent repositories - 12 downloads last month - 10 stars on GitHub - 1 maintainer
calphy 1.3.7
free energy calculation for python32 versions - Latest release: 3 months ago - 1 dependent repositories - 130 downloads last month - 56 stars on GitHub - 2 maintainers
mdbrew 2.5.6
Postprocessing tools for the Molecular Dynamics simulation83 versions - Latest release: about 2 months ago - 285 downloads last month - 3 stars on GitHub - 1 maintainer
lmp_wrapper 0.1
A thin wrapper for Lammps1 version - Latest release: over 7 years ago - 8 downloads last month - 1 maintainer
lammps-step 2024.3.22
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.48 versions - Latest release: 3 months ago - 1 dependent repositories - 244 downloads last month - 2 stars on GitHub - 1 maintainer
Top 4.0% on pypi.org
102 versions - Latest release: about 1 month ago - 14 dependent packages - 29 dependent repositories - 19.8 thousand downloads last month - 279 stars on GitHub - 1 maintainer
jarvis-tools 2024.4.30
jarvis-tools: an open-source software package for data-driven atomistic materials design. https:/...102 versions - Latest release: about 1 month ago - 14 dependent packages - 29 dependent repositories - 19.8 thousand downloads last month - 279 stars on GitHub - 1 maintainer
longbow 1.5.2
Biomolecular simulation remote job submission tool.18 versions - Latest release: over 5 years ago - 1 dependent repositories - 68 downloads last month - 17 stars on GitHub - 2 maintainers
lammpsgenie 1.0.0
A package to help with LAMMPS data and dump files.1 version - Latest release: about 2 years ago - 1 dependent repositories - 14 downloads last month - 1 stars on GitHub - 1 maintainer
Top 5.3% on pypi.org
48 versions - Latest release: 2 months ago - 2 dependent packages - 2 dependent repositories - 1.89 thousand downloads last month - 1,353 stars on GitHub - 2 maintainers
deepmd-kit 2.2.10
A deep learning package for many-body potential energy representation and molecular dynamics48 versions - Latest release: 2 months ago - 2 dependent packages - 2 dependent repositories - 1.89 thousand downloads last month - 1,353 stars on GitHub - 2 maintainers
deepmd-kit-cu11 2.2.10
A deep learning package for many-body potential energy representation and molecular dynamics3 versions - Latest release: 2 months ago - 49 downloads last month - 1,353 stars on GitHub - 2 maintainers
emc-pypi 2023.8.2
Python interface for the Enhanced Monte Carlo (EMC) package8 versions - Latest release: 11 months ago - 1 dependent package - 1 dependent repositories - 209 downloads last month - 11 stars on GitHub - 1 maintainer
sqlalchemy-schemadisplay 2.0
Package for the generation of diagrams based on SQLAlchemy ORM models and or the database itself7 versions - Latest release: 4 months ago - 5 dependent packages - 32.3 thousand downloads last month - 134 stars on GitHub - 1 maintainer
phonolammps 0.9.2
phonoLAMMPS module23 versions - Latest release: 8 months ago - 338 downloads last month - 67 stars on GitHub - 1 maintainer
lammps 2023.8.2.3.1
unoffical LAMMPS Molecular Dynamics Python package11 versions - Latest release: 29 days ago - 5 dependent packages - 8 dependent repositories - 10.1 thousand downloads last month - 2,050 stars on GitHub - 1 maintainer
lammps-manylinux-2-28 2022.6.23.4.0
unoffical LAMMPS Molecular Dynamics Python package4 versions - Latest release: about 1 year ago - 1 dependent package - 75 downloads last month - 2,059 stars on GitHub - 1 maintainer
dflow-galaxy 0.1.9
A toolkit featured artificial intelligence × ab initio for computational chemistry research.14 versions - Latest release: 29 days ago - 247 downloads last month - 44 stars on GitHub - 1 maintainer
atomify-lammps-logfile 1.0.2
Tool to read lammps log files into python data structure1 version - Latest release: over 1 year ago - 74 downloads last month - 46 stars on GitHub - 1 maintainer
zkdatabuilder 0.1.4
Builds E.coli model with DNA, free and bound transcription factors data file for lammps mimicing ...14 versions - Latest release: over 3 years ago - 1 dependent repositories - 80 downloads last month - 1 maintainer
pymatgen-lammps 0.5.1
A LAMMPS wrapper using pymatgen26 versions - Latest release: almost 5 years ago - 1 dependent repositories - 151 downloads last month - 6 stars on GitHub - 1 maintainer
lammps-logfile 1.0.2
Tool to read lammps log files into python data structure4 versions - Latest release: over 2 years ago - 1 dependent repositories - 109 downloads last month - 46 stars on GitHub - 1 maintainer
pmd 1.5.2 removed
Automated generation of LAMMPS data and input files for polymer molecular dynamics simulations30 versions - Latest release: 4 months ago - 1 dependent repositories - 636 downloads last month - 1 stars on GitHub - 1 maintainer
Related Keywords
molecular-dynamics
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python
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vasp
9
simulation
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materials-science
6
LAMMPS
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gromacs
5
dft
4
ase
4
molecular-dynamics-simulation
4
chemistry
4
molecular dynamics
4
analysis
4
lammps-python-interface
4
lammps-data
4
hpc
3
wrapper
3
simulations
3
materials-informatics
3
md
3
quantum-espresso
3
molecular
3
dynamics
3
Molecular Dynamics
3
namd
3
automation
3
polymer
3
deepmd
3
SMILES
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tensorflow
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pytorch
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computational-chemistry
3
pyiron
3
workflows
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aiida
2
amber
2
scientific-computing
2
mdanalysis
2
charmm
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lammps-tool
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kokkos
2
rocm
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potential-energy
2
nodejs
2
ipi
2
deep-learning
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cuda
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cpp
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c
2
high-performance-computing
2
slurm
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MD
2
free-energy
2
phonopy
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phonon
2
data-science
2
monte-carlo
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data-analysis
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molecular-simulation
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structure
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calphy
1
free-energy-calculations
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interatomic-potentials
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thermodynamic-calculations
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GROMACS
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SEAMM
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plug-in
1
flowchart
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forcefield
1
EAM
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OpenKIM
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molssi
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atomistic-simulations
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