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Author:
Shu Li
License:
GNU GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundation, Inc. <https://fsf.org/> Everyone is permitted to copy and distribute verbatim copies of this license do...
Summary:
Official Emap2lig inference pipeline for finding ligand density blobs and building atomic ligand structures in cryo-EM maps.
Latest version:
0.4.3
Required dependencies:
cuequivariance-ops-torch-cu12
|
cuequivariance-torch
|
einops
|
fairscale
|
gemmi
|
huggingface-hub
|
hydra-core
|
jaxtyping
|
lightning
|
loguru
|
modelcif
|
mrcfile
|
numba
|
pdbeccdutils
|
pyyaml
|
rdkit
|
requests
|
safetensors
|
scikit-image
|
torch
|
tqdm
|
typer
Optional dependencies:
fastapi
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