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Author:
None
Summary:
High throughput molecular dynamics (HTMD)
Latest version:
2.8.9
Required dependencies:
ambertools-unofficial
|
deeptime
|
h5py
|
joblib
|
jobqueues
|
matplotlib
|
moleculekit
|
natsort
|
networkx
|
numpy
|
pandas
|
parmed
|
pint
|
protocolinterface
|
scikit-learn
|
scipy
|
tqdm
Optional dependencies:
acellera-openff-amber-ff-ports
|
acellera-openff-interchange
|
acellera-openff-nagl
|
acellera-openff-nagl-models
|
acellera-openff-toolkit
|
acellera-openff-units
|
acellera-openff-utilities
|
acellera-openforcefields
|
acellera-openmmforcefields
|
cachetools
|
ipython
|
ipywidgets
|
jupyter_console
|
lxml
|
nglview
|
notebook
|
openmm
|
pydantic
|
pymol-open-source
|
python-constraint
|
pytorch-lightning
|
torch
|
xmltodict
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