Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "coarse-grained-molecular-dynamics" keyword
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
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
moltemplate 2.20.15
A general cross-platform tool for preparing simulations of molecules and complex molecular assemb...11 versions - Latest release: over 1 year ago - 1 dependent repositories - 179 stars on GitHub
torchmd 0.0.2
TorchMD intends to provide a simple to use API for performing molecular dynamics using PyTorch. T...1 version - Latest release: over 2 years ago - 334 stars on GitHub
Related Keywords
molecular-dynamics
4
gromacs
2
pytorch-lightning
1
pytorch
1
neural-networks
1
machine-learning
1
opls
1
open-science
1
molecule-editor
1
molecule-builder
1
lammps-tool
1
lammps-script-creator
1
lammps-data
1
lammps
1
force-fields
1
amber
1
science
1
python
1
computational-chemistry
1
votca
1
multiscale-simulation
1
gw-bse
1
excited-states
1
coarse-graining
1
charge-transport
1