pypi.org "metadynamics" keyword
cvpack 0.12.2
Useful Collective Variables for OpenMM14 versions - Latest release: over 2 years ago - 1 dependent package - 73 downloads last month - 18 stars on GitHub - 1 maintainer
pmarlo 0.0.41
Protein Markov State Model Analysis with Replica Exchange7 versions - Latest release: about 1 year ago - 17 downloads last month - 1 stars on GitHub - 1 maintainer
pycolvars 0.1.0
Python tools to post-process and analyze metadynamics / collective variable data1 version - Latest release: 4 months ago - 147 downloads last month - 0 stars on GitHub - 1 maintainer
tm-spec 0.3.0
Third Matter Specification — declarative YAML metalanguage and toolchain for DFT/MLIP/MD calculat...2 versions - Latest release: 5 months ago - 18 downloads last month - 0 stars on GitHub - 1 maintainer
xdatbus 0.3.8
A Python package enhancing VASP AIMD simulation145 versions - Latest release: over 1 year ago - 1 dependent package - 1 dependent repositories - 56 downloads last month - 13 stars on GitHub - 1 maintainer
metadynminer 0.9.7
Python package for efficient analysis of HILLS files generated by Plumed metadynamics simulations.29 versions - Latest release: 9 months ago - 25 downloads last month - 22 stars on GitHub - 1 maintainer
Related Keywords
molecular dynamics
3
molecular-dynamics
2
visualization
1
Plumed
1
molecular-dynamics-simulation
1
plumed
1
DFT
1
MLIP
1
NEB
1
umbrella sampling
1
reproducibility
1
paper SI
1
NOMAD
1
YAML
1
JSON Schema
1
Fe-S minerals
1
collective variables
1
free energy
1
analysis
1
pmarlo
1
markov-state-model
1
bioinformatics
1
biophysics
1
protein simulation
1
replica exchange
1
markov state models
1
openmm
1
enhanced-sampling
1
collective-variables
1
xdatcar
1
vasp
1
aimd
1
python
1