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Author:
Matcha authors
License:
Attribution-NonCommercial 4.0 International
=======================================================================
Creative Commons Corporation ("Creative Common...
Summary:
Matcha: Multi-Stage Riemannian Flow Matching for Accurate and Physically Valid Molecular Docking
Latest version:
2.0.0
Required dependencies:
biopython
|
datamol
|
deli
|
huggingface-hub
|
numpy
|
omegaconf
|
pandas
|
posebusters
|
prody
|
rdkit
|
rich
|
scikit-fmm
|
scipy
|
spyrmsd
|
timm
|
torch
|
tqdm
|
transformers
|
typer
Optional dependencies:
pytest
|
pytest-xdist
|
ruff
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