Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "Molecular Dynamics" keyword
free-energy-landscape 1.0.3
The Free Energy Landscape Analysis tool provides a full suite for analyzing and visualizing free ...9 versions - Latest release: 2 months ago - 89 downloads last month - 3 stars on GitHub - 1 maintainer
newtonnet 1.1.1
A Newtonian message passing network for deep learning of interatomic potentials and forces2 versions - Latest release: 7 months ago - 1 dependent package - 524 downloads last month - 23 stars on GitHub - 1 maintainer
cpctools 0.1.1
A package for analysing molecular systems4 versions - Latest release: 7 months ago - 1 dependent package - 42 downloads last month - 4 stars on GitHub - 3 maintainers
emc-pypi 2023.8.2
Python interface for the Enhanced Monte Carlo (EMC) package8 versions - Latest release: 10 months ago - 1 dependent package - 1 dependent repositories - 209 downloads last month - 11 stars on GitHub - 1 maintainer
mbn-tools 0.1
Useful tools for MBN Explorer simulations and analysis1 version - Latest release: 4 months ago - 22 downloads last month - 0 stars on GitHub - 1 maintainer
maicos 0.7.2
Analyse molecular dynamics simulations of interfacial and confined systems.12 versions - Latest release: over 1 year ago - 1 dependent repositories - 207 downloads last month - 17 stars on GitLab.com - 3 maintainers
taurenmd 0.11.2
A command-line interface for analysis routines in Molecular Dynamics data.40 versions - Latest release: almost 2 years ago - 1 dependent repositories - 229 downloads last month - 8 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: 3 months ago - 1 dependent repositories - 636 downloads last month - 1 stars on GitHub - 1 maintainer
Related Keywords
molecular-dynamics
3
python
3
molecular-dynamics-simulation
2
lammps-data
2
lammps
2
SMILES
2
LAMMPS
2
data-science
1
computing-framework
1
computing
1
Simulations
1
Polymer
1
Biochemistry
1
Molecular Biology
1
Structural Biology
1
RNA
1
DNA
1
Proteins
1
science
1
Free energy landscape
1
high-performance-computing
1
informatics
1
lammps-input
1
machine-learning
1
machine-learning-pipelines
1
materials-informatics
1
polymer
1
pypi
1
pypi-package
1
python-library
1
python3
1
simulations
1
Collective variables
1
Boltzmann equation
1
Machine Learning
1
Data Mining
1
Quantum Chemistry
1
SOAP
1
simulation
1
simulation analysis
1
EMC
1
Simulation
1
lammps-python-interface
1
monte-carlo
1
smiles-strings
1
MBN Explorer
1
MBN Studio
1
MD
1
Data Analysis
1
Science
1
Confined Systems
1
MDAnalysis
1
confined systems
1
mdanalysis
1
molecular dynamics
1
molecular-dynamics-trajectories
1