Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "lammps" keyword
pyiron_atomistics 0.2.59
pyiron was initially developed in the Computational Materials Design department of Joerg Neugebau...60 versions - Latest release: over 1 year ago - 5 dependent packages - 21 dependent repositories - 23 stars on GitHub
jarvis-tools 2022.9.16
NIST-JARVIS (Joint Automated Repository for Various Integrated Simulations) is an integrated fram...37 versions - Latest release: over 1 year ago - 1 dependent package - 272 stars on GitHub
pylammpsmpi 0.0.9
Parallel Lammps Python interface8 versions - Latest release: over 1 year ago - 1 dependent package - 1 dependent repositories - 20 stars on GitHub
moltemplate 2.20.15
A general cross-platform tool for preparing simulations of molecules and complex molecular assemb...11 versions - Latest release: over 1 year ago - 1 dependent repositories - 179 stars on GitHub
kim-property 2.5.2
KIM-PROPERTY utility module. The objective is to make it as easy as possible to convert a script ...5 versions - Latest release: over 2 years ago - 5 stars on GitHub
kim_property 1.0.1
KIM-PROPERTY utility module. The objective is to make it as easy as possible to convert a script ...1 version - Latest release: about 4 years ago - 5 stars on GitHub
pytim 0.9.0
Pytim provides a set of tools for interfacial analysis in molecular simulations. Most major confi...10 versions - Latest release: about 2 years ago - 62 stars on GitHub
calphy 1.2.4
A Python library and command line interface for automated free energy calculations12 versions - Latest release: over 1 year ago - 2 dependent repositories - 28 stars on GitHub
dynaphopy 1.17.13
Software to calculate crystal microscopic anharmonic properties from molecular dynamics (MD) usin...16 versions - Latest release: almost 2 years ago - 1 dependent package - 77 stars on GitHub
pwtools 1.2.3
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targete...5 versions - Latest release: over 2 years ago - 49 stars on GitHub
atomsk 0.11.2
Atomsk is an Open Source command-line program dedicated to the creation, manipulation, and conver...8 versions - Latest release: over 2 years ago - 129 stars on GitHub
deepmd-kit 2.1.5
A deep learning package for many-body potential energy representation and molecular dynamics20 versions - Latest release: over 1 year ago - 1 dependent repositories - 1,071 stars on GitHub
pyscal 2.10.18
pyscal is a python module for the calculation of local atomic structural environments including S...34 versions - Latest release: over 1 year ago - 3 dependent packages - 10 dependent repositories - 44 stars on GitHub
phonolammps 0.9.0
Calculate the 2nd order force constants using phonopy and LAMMPS.12 versions - Latest release: over 1 year ago - 53 stars on GitHub
Top 8.0% on conda-forge.org
13 versions - Latest release: over 3 years ago - 4 dependent packages - 40 dependent repositories - 1,611 stars on GitHub
lammps 2020.12.24
LAMMPS is a classical molecular dynamics simulation code designed to run efficiently on parallel ...13 versions - Latest release: over 3 years ago - 4 dependent packages - 40 dependent repositories - 1,611 stars on GitHub
Related Keywords
molecular-dynamics
8
python
4
vasp
4
ase
2
phonopy
2
phonon
2
quantum-espresso
2
materials-science
2
openkim
2
kim-property
2
kim-edn
2
kim
2
lammps-python-interface
2
tensorflow
2
atomistic-simulations
2
dft
2
dislocation
1
crystal-builder
1
cif
1
cheminformatics
1
atomic-design
1
atomeye
1
ab-initio
1
sqlite
1
radial-pair-correlation-function
1
radial-distribution-function
1
radial-basis-function
1
quasi-harmonic-approximation
1
python-api
1
preprocessing
1
postprocessing
1
kokkos
1
simulation
1
polynomial-regression
1
parameter-sweep
1
multivariate-regression
1
kernel-ridge-regression
1
rocm
1
bond-order-parameters
1
potential-energy
1
ipi
1
deepmd
1
deep-learning
1
cuda
1
cpp
1
computational-chemistry
1
siesta
1
nucleation
1
science
1
polycrystal
1
physics-simulation
1
ovito
1
order-parameters
1
solid-state-physics
1
steinhardt
1
steinhardt-bond-order-parameters
1
open-source
1
gulp
1
file-conversion
1
opls
1
open-science
1
molecule-editor
1
molecule-builder
1
lammps-tool
1
lammps-script-creator
1
lammps-data
1
force-fields
1
coarse-grained-molecular-dynamics
1
amber
1
openmpi
1
mpi4py
1
dask-distributed
1
scikit-learn
1
quantum-computing
1
pytorch
1
mgi
1
md
1
materials-informatics
1
ai
1
pyiron
1
gaussian
1
kernel-regression
1
cpmd
1
cp2k
1
anharmonicity
1
thermodynamic-calculations
1
interatomic-potentials
1
free-energy-calculations
1
free-energy
1
willard-chandler
1
simulations
1
scientific-computing
1
sasa
1
openmm
1
namd
1
molecular-simulations
1
mdtraj
1
mdanalysis
1
interfacial-atoms
1
interfaces
1