PyPI page
Author:
Emmanuel Noutahi
Summary:
molfeat - the hub for all your molecular featurizers
Latest version:
1.0.0
Required dependencies:
datamol
|
filelock
|
fsspec
|
joblib
|
loguru
|
numpy
|
packaging
|
pandas
|
platformdirs
|
pmapper
|
pydantic
|
pyyaml
|
rdkit
|
scikit-learn
|
scipy
|
torch
|
tqdm
Optional dependencies:
black
|
build
|
fcd-torch
|
gcsfs
|
h5py
|
huggingface-hub
|
ipywidgets
|
markdown-include
|
matplotlib
|
mdx-truly-sane-lists
|
mike
|
mkdocs
|
mkdocs-jupyter
|
mkdocs-material
|
mkdocs-material-extensions
|
mkdocstrings
|
mordredcommunity
|
nglview
|
pre-commit
|
pyarrow
|
pytest
|
pytest-cov
|
pytest-timeout
|
pytest-xdist
|
ruff
|
s3fs
|
safetensors
|
selfies
|
sentencepiece
|
torch-geometric
|
transformers
|
twine
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