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Author:
Oleksandra Serhiienko
Summary:
Admetica is a command-line tool for making ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) predictions using pre-trained models.
Latest version:
1.4.1
Required dependencies:
aimsim_core
|
aiohttp
|
aiosignal
|
astartes
|
attrs
|
blinker
|
chemprop
|
click
|
configargparse
|
dill
|
filelock
|
flask
|
frozenlist
|
fsspec
|
idna
|
itsdangerous
|
jinja2
|
joblib
|
lightning
|
lightning-utilities
|
markupsafe
|
mhfp
|
mordredcommunity
|
mpmath
|
multidict
|
multiprocess
|
networkx
|
numpy
|
packaging
|
padelpy
|
pandas
|
pillow
|
psutil
|
python-dateutil
|
pytorch-lightning
|
pytz
|
pyyaml
|
rdkit
|
scikit-learn
|
scipy
|
setuptools
|
six
|
sympy
|
tabulate
|
threadpoolctl
|
torch
|
torchmetrics
|
tqdm
|
typing_extensions
|
tzdata
|
werkzeug
|
yarl
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