PyPI page
Home page
Author:
Stefan Doerr
Summary:
A molecule reading/writing and manipulation package.
Latest version:
1.17.16
Required dependencies:
acellera-pdb2pqr
|
acellera-propka
|
biopython
|
matplotlib
|
mdtraj
|
msgpack
|
networkx
|
numpy
|
pandas
|
rdkit
|
requests
|
tqdm
Optional dependencies:
molviewspec
|
nvidia-cuda-cupti-cu12
|
nvidia-cuda-nvcc-cu12
|
nvidia-cuda-nvrtc-cu12
|
nvidia-cuda-runtime-cu12
|
nvidia-nvjitlink-cu12
|
openmm
Downloads last day:
206
Downloads last week:
2,578
Downloads last month:
6,575
7-day smoothing