PyPI page
Author:
HansPeterSeidel
Summary:
Pytorch based crystallographic refinement
Latest version:
0.7.0
Required dependencies:
gemmi
|
matplotlib
|
numpy
|
pandas
|
pyarrow
|
reciprocalspaceship
|
scipy
|
torch
|
torchref-kernels
|
tqdm
Optional dependencies:
black
|
ihm
|
isort
|
openmm
|
parmed
|
pdbfixer
|
pytest
|
pytest-cov
|
ruff
|
sphinx
|
sphinx-rtd-theme
|
torchmd-net
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