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Author:
originally and primarily authored by Justas Dauparas. installable version by markus.
License:
MIT
Summary:
a pip installable version of LigandMPNN with pre-trained models included
Latest version:
0.1.2
Required dependencies:
biopython
|
dm-tree
|
filelock
|
fsspec
|
jinja2
|
markupsafe
|
ml-collections
|
mpmath
|
networkx
|
numpy
|
prody
|
pyparsing
|
scipy
|
setuptools
|
sympy
|
torch
|
typing_extensions
Optional dependencies:
pytest
|
pytest-cov
|
twine
|
wheel
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