pypi.org "md-simulation" keyword
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
fastmdxplora 2.6.0
Software for Automated Molecular Dynamics Exploration15 versions - Latest release: 26 days ago - 431 downloads last month - 140 stars on GitHub - 1 maintainer
fastmdx 2.6.0
Alias for FastMDXplora; installs the canonical 'fastmdxplora' package.18 versions - Latest release: 26 days ago - 370 downloads last month - 140 stars on GitHub - 1 maintainer
fastmdxplorer 0.3.0
FastMDXplorer: Fully Automated SysTem for Molecular Dynamics eXploration3 versions - Latest release: 6 months ago - 140 downloads last month - 0 stars on GitHub - 1 maintainer
amberprep 0.1.3
Web-based MD simulation pipeline with AMBER, ESMFold, docking, and PLUMED2 versions - Latest release: 9 months ago - 106 downloads last month - 1 stars on GitHub - 1 maintainer
mdhelper 1.0.0
A batteries-included toolkit of analysis modules and helper functions3 versions - Latest release: over 2 years ago - 13 downloads last month - 8 stars on GitHub - 1 maintainer
Related Keywords
molecular-dynamics
5
computational-chemistry
3
md-analysis
2
fastmdxplora
2
trajectory-analysis
2
automation
2
orchestrator
2
reproducibility
2
structural-biology
2
biophysics
2
mdanalysis
1
temperature-ramps
1
transition-phase
1
amber
1
protein-structure
1
esmfold
1
docking
1
autodock-vina
1
plumed
1
bioinformatics
1
fastmdx
1
openmm
1
Molecular Dynamics
1
Cheminformatics
1
Lindemann
1
Lindemann Index
1
Phase transition
1
analysis
1
cheminformatics
1
chemistry
1
chemoinformatics
1
gromacs
1
lammps
1
lammps-trajectory
1
lindemann
1
lindemann-index
1
ovito
1
phase-transition
1
phase-transitions
1
simulation
1