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Author:
Bind Research
License:
MIT
Summary:
Prediction of protonation states for small molecules
Latest version:
0.5.4
Required dependencies:
click
|
ipython
|
joblib
|
matplotlib
|
networkx
|
numpy
|
pandas
|
pyyaml
|
rdkit
|
scipy
|
svgutils
|
torch
|
torch-geometric
|
tqdm
Optional dependencies:
fastapi
|
itsdangerous
|
jinja2
|
mypy
|
pytest
|
pytest-cov
|
python-multipart
|
ruff
|
uvicorn
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