pypi.org "Molecular Dynamics" keyword
taurenmd 0.11.2
A command-line interface for analysis routines in Molecular Dynamics data.40 versions - Latest release: over 4 years ago - 1 dependent repositories - 41 downloads last month - 9 stars on GitHub - 1 maintainer
maicos 0.13
Analyse molecular dynamics simulations of interfacial and confined systems.19 versions - Latest release: 9 days ago - 1 dependent repositories - 1.2 thousand downloads last month - 17 stars on GitHub - 3 maintainers
lindemann 0.10.0
lindemann is a python package to calculate the Lindemann index of a lammps trajectory as well as...10 versions - Latest release: over 2 years ago - 1 dependent repositories - 25 downloads last month - 24 stars on GitHub - 1 maintainer
emc-pypi 2025.8.21
Python interface for the Enhanced Monte Carlo (EMC) package10 versions - Latest release: about 1 year ago - 1 dependent package - 1 dependent repositories - 430 downloads last month - 26 stars on GitHub - 1 maintainer
fairmd-lipids 1.7.0
FAIRMD Lipids project (formerly NMRlipids) contains the core functionality for managing and acces...11 versions - Latest release: 6 days ago - 229 downloads last month - 13 stars on GitHub - 4 maintainers
smc-lammps 0.2.4
Simulate DNA loop extrusion by SMCs using LAMMPS8 versions - Latest release: 17 days ago - 12 downloads last month - 1 stars on GitHub - 1 maintainer
scatterkit 0.1.1
SAXS analysis of molecular dynamics simulations.2 versions - Latest release: 6 months ago - 106 downloads last month - 7 stars on GitHub - 1 maintainer
solvate 0.1.0
Solvate confined geometries for MD simulations1 version - Latest release: 5 months ago - 19 downloads last month - 4 stars on GitHub - 1 maintainer
spectrumkit 0.1.0
Compute spectra from MD simulation data1 version - Latest release: 6 months ago - 4 downloads last month - 3 stars on GitHub - 3 maintainers
fairmd 0.1.0
FAIRMD meta-package: Installs all FAIRMD packages for molecular dynamics analysis1 version - Latest release: 9 months ago - 54 downloads last month - 3 maintainers
aimmd 0.10.1
aimmd (AI for Molecular Mechanism Discovery) autonomously steers (a large number of) molecular dy...5 versions - Latest release: 4 months ago - 36 downloads last month - 24 stars on GitHub - 1 maintainer
torch-pme 0.5.0
Particle-mesh based calculations of long-range interactions in PyTorch10 versions - Latest release: 4 months ago - 1.49 thousand downloads last month - 83 stars on GitHub - 3 maintainers
mdna 0.2.0
Software module for DNA structure generation and analysis6 versions - Latest release: 7 months ago - 52 downloads last month - 12 stars on GitHub - 1 maintainer
mdscribe 0.7.4
A Toolset For Molecular Dynamics5 versions - Latest release: over 1 year ago - 23 downloads last month - 1 stars on GitHub - 1 maintainer
cpctools 0.1.1
A package for analysing molecular systems4 versions - Latest release: almost 3 years ago - 1 dependent package - 29 downloads last month - 4 stars on GitHub - 3 maintainers
aton 1.1.4
The Advanced Text Operations for scieNtific python (ATON) provides powerful and comprehensive tex...161 versions - Latest release: 4 months ago - 1.9 thousand downloads last month - 2 stars on GitHub - 1 maintainer
mbn-tools 1.0.0
Useful tools for use with MBN Explorer simulations, files, and their analysis2 versions - Latest release: 9 months ago - 63 downloads last month - 1 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: over 2 years ago - 1 dependent repositories - 636 downloads last month - 1 stars on GitHub - 1 maintainer
newtonnet 2.0.1
A Newtonian message passing network for deep learning of interatomic potentials and forces4 versions - Latest release: over 1 year ago - 1 dependent package - 332 downloads last month - 46 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: almost 2 years ago - 204 downloads last month - 4 stars on GitHub - 1 maintainer
Related Keywords
molecular-dynamics
9
Science
6
MDAnalysis
4
science
4
MD
4
Confined Systems
3
molecular-dynamics-simulation
3
LAMMPS
3
simulation
3
lammps
3
Machine Learning
3
python
3
Quantum ESPRESSO
2
Phonopy
2
SMILES
2
lammps-data
2
Density Functional Theory
2
DFT
2
simulations
2
DNA
2
machine-learning
2
Membranes
2
Ternary Complex Modeling
1
high performance computing
1
desmond
1
RC
1
reaction coordinate
1
modeling
1
commitment probability
1
committor
1
AI
1
Artificial Intelligence
1
openmm
1
ternary
1
MBN Explorer
1
ML
1
MBN Studio
1
Data Analysis
1
TPS
1
Transition Path Sampling
1
Path Sampling
1
Data Mining
1
loop-extrusion
1
dna
1
Quantum Chemistry
1
Structural Maintance of Chromosomes
1
coarse-grained-molecular-dynamics
1
loop extrusion
1
coarse-grained
1
smiles-strings
1
monte-carlo
1
lammps-python-interface
1
Simulation
1
EMC
1
structure-factor
1
scattering
1
saxs
1
CASTEP
1
Ab-initio
1
INS
1
Inelastic Neutron Scattering
1
Spectra
1
Neutron research
1
Neutron
1
Aton
1
simulation analysis
1
SOAP
1
templates
1
dft
1
density-functional-theory
1
calculations
1
ab-initio
1
inputmaker
1
text
1
thothpy
1
thoth
1
thotpy
1
thot
1
HPC
1
pypi-package
1
pypi
1
polymer
1
materials-informatics
1
machine-learning-pipelines
1
lammps-input
1
informatics
1
high-performance-computing
1
data-science
1
computing-framework
1
computing
1
Simulations
1
Polymer
1
Dielectric Spectra
1
mdanalysis
1
confined-water
1
pytorch
1
particle-mesh-ewald
1
material-science
1
fast-fourier-transform
1
electrostatics
1