PyPI page
Home page
Author:
None
License:
MIT
Summary:
A unified set of tools for setting up general organic polymer systems for MD within the OpenFF framework
Latest version:
1.0.2
Required dependencies:
anytree
|
importlib-resources
|
lammps
|
matplotlib
|
mdtraj
|
networkx
|
numpy
|
openmm
|
pandas
|
pillow
|
rdkit
|
rich
|
scipy
|
setuptools
Optional dependencies:
chemspipy
|
cirpy
|
codecov
|
ipywidgets
|
jupyterlab
|
nglview
|
pubchempy
|
py3dmol
|
pytest
|
pytest-cov
|
pytest-runner
Downloads last day:
5
Downloads last week:
8
Downloads last month:
27