Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "gromacs" keyword
pytng 0.2.3
PyTNG is a Python library to read TNG files. The TNG format is used by molecular simulation pack...5 versions - Latest release: over 1 year ago - 12 stars on GitHub
gmx_mmpbsa 1.5.0 💰
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calcu...4 versions - Latest release: about 2 years ago - 127 stars on GitHub
votca 2022
VOTCA is a software package which focuses on the analysis of molecular dynamics data, the develop...2 versions - Latest release: about 2 years ago - 31 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
pycgtool 2.0.0
PyCGTOOL is a tool to aid in parametrising coarse-grained (CG) molecular mechanics models of smal...3 versions - Latest release: about 2 years ago - 44 stars on GitHub
acpype 2022.7.21 💰
A tool based in Python to use Antechamber to generate topologies for chemical compounds and to in...16 versions - Latest release: almost 2 years ago - 1 dependent repositories - 118 stars on GitHub
mdbenchmark 3.0.1
MDBenchmark is a tool to squeeze the maximum out of your limited computing resources. It tries to...10 versions - Latest release: almost 2 years ago - 67 stars on GitHub
gromacswrapper 0.8.2
GromacsWrapper is a Python package that wraps system calls to GROMACS tools into thin classes. Th...1 version - Latest release: over 1 year ago - 1 dependent package - 142 stars on GitHub
Related Keywords
molecular-dynamics
5
python
4
namd
2
ambertools
2
charmm
2
coarse-grained-molecular-dynamics
2
science
2
computational-chemistry
2
file-format
1
molecular-simulations
1
openmm
1
sasa
1
scientific-computing
1
simulations
1
willard-chandler
1
ambermd
1
cns
1
python3
1
topologies
1
xplor
1
benchmark
1
cli
1
high-performance-computing
1
simulation
1
gromacswrapper
1
molecular-dynamics-simulation
1
trajectory
1
energy-calculations
1
gmx
1
gmx-mmgbsa
1
gmx-mmpbsa
1
mmgbsa
1
mmpbsa
1
charge-transport
1
coarse-graining
1
excited-states
1
gw-bse
1
multiscale-simulation
1
votca
1
data-analysis
1
interfaces
1
interfacial-atoms
1
lammps
1
mdanalysis
1
mdtraj
1