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Author:
Clayton Moore
Summary:
Cryptic binding pocket discovery via conformational ensemble analysis
Latest version:
1.2.0
Required dependencies:
biopython
|
click
|
numpy
|
rich
|
scipy
Optional dependencies:
boltz
|
mypy
|
openmm
|
pdbfixer
|
pytest
|
pytest-cov
|
ruff
|
torch
|
transformers
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