pypi.org "namd" keyword
pytim 1.0.9
Python Tool for Interfacial Molecules Analysis28 versions - Latest release: 4 months ago - 1 dependent repositories - 146 downloads last month - 98 stars on GitHub - 1 maintainer
mdbenchmark 3.0.1
Quickly generate, start and analyze benchmarks for your molecular dynamics simulations.13 versions - Latest release: about 6 years ago - 1 dependent repositories - 38 downloads last month - 84 stars on GitHub - 3 maintainers
colvars 0.1
Collective variables module for molecular simulation and analysis programs1 version - Latest release: about 3 years ago - 1 dependent repositories - 243 stars on GitHub - 1 maintainer
pyadmd 3.4.0
Adaptive Molecular Dynamics with Excited Normal Modes (aMDeNM) on OpenMM.8 versions - Latest release: about 1 month ago - 270 downloads last month - 0 stars on GitHub - 1 maintainer
longbow 1.5.5
Biomolecular simulation remote job submission tool.21 versions - Latest release: 4 months ago - 1 dependent repositories - 855 downloads last month - 18 stars on GitHub - 1 maintainer
fepcert 1.2.0
Automated Quality-Control, Phase Space Overlap, and Thermodynamic Cycle Closure Certification for...1 version - Latest release: about 1 month ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer
pynamd 0.0.1
1 version - Latest release: about 4 years ago - 10 downloads last month - 1 maintainerRelated Keywords
molecular-dynamics
5
gromacs
5
lammps
3
simulations
3
python
3
charmm
3
scientific-computing
2
openmm
2
high-performance-computing
2
molecular dynamics
2
enhanced-sampling
2
amber
2
simulation
2
molecular-dynamics-simulation
1
enm
1
molecular-modeling
1
normal-mode-analysis
1
elastic-network-models
1
enhanced sampling
1
OpenMM
1
aMDeNM
1
normal modes
1
vmd
1
aiida
1
normal-modes
1
benchmark
1
cli
1
computational-chemistry
1
molecular
1
analysis
1
data-analysis
1
interfaces
1
interfacial-atoms
1
mdanalysis
1
mdtraj
1
molecular-simulations
1
sasa
1
willard-chandler
1
plugin
1
aiida-gromacs
1
automation
1
bioinformatics
1
biosimulation
1
job-queue
1
job-scheduler
1
job-submission
1
lsf-jobs
1
pbs-pro
1
sge
1
slurm
1
supercomputer
1
torque
1
free-energy-perturbation
1
fep
1
thermodynamic-integration
1
mbar
1
bennett-acceptance-ratio
1
alchemical-free-energy
1
drug-discovery
1
binding-free-energy
1
cycle-closure
1
reproducibility
1
collective-variables
1
free-energy
1
tinkerhp
1