molfeat

View on PyPIReverse Dependencies (8)

0.10.1 molfeat-0.10.1-py3-none-any.whl

Wheel Details

Project: molfeat
Version: 0.10.1
Filename: molfeat-0.10.1-py3-none-any.whl
Download: [link]
Size: 165280
MD5: becfc8715ed84a856a63506971ca04f6
SHA256: 85e300f73fda9ae2514746ffa5034a47e7b7b3192a86c1bd17f03754e1feda9c
Uploaded: 2024-08-14 12:58:09 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: molfeat
Version: 0.10.1
Summary: molfeat - the hub for all your molecular featurizers
Author-Email: Emmanuel Noutahi <emmanuel.noutahi[at]hotmail.ca>
Project-Url: Website, https://molfeat.datamol.io
Project-Url: Source Code, https://github.com/datamol-io/molfeat
Project-Url: Bug Tracker, https://github.com/datamol-io/molfeat/issues
Project-Url: Documentation, https://molfeat-docs.datamol.io/
License: Apache
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Healthcare Industry
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Medical Science Apps.
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Requires-Python: >3.8
Requires-Dist: tqdm
Requires-Dist: loguru
Requires-Dist: joblib
Requires-Dist: filelock
Requires-Dist: fsspec (>=2021.9)
Requires-Dist: s3fs (>=2021.9)
Requires-Dist: gcsfs (>=2021.9)
Requires-Dist: pandas
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: torch (>=1.13)
Requires-Dist: datamol (>=0.8.0)
Requires-Dist: pyyaml
Requires-Dist: platformdirs
Requires-Dist: matplotlib
Requires-Dist: h5py
Requires-Dist: pyarrow
Requires-Dist: pydantic (>=2.0.0)
Requires-Dist: scikit-learn
Requires-Dist: packaging
Requires-Dist: pmapper
Requires-Dist: mordredcommunity
Requires-Dist: python-dotenv
Requires-Dist: rdkit
Requires-Dist: dgl; extra == "all"
Requires-Dist: dgllife; extra == "all"
Requires-Dist: graphormer-pretrained; extra == "all"
Requires-Dist: tokenizers (<0.13.2); extra == "all"
Requires-Dist: transformers; extra == "all"
Requires-Dist: fcd-torch; extra == "all"
Requires-Dist: nglview; extra == "all"
Requires-Dist: ipywidgets; extra == "all"
Requires-Dist: pytorch-geometric (>=2.4.0); extra == "all"
Requires-Dist: molfeat[test]; extra == "dev"
Requires-Dist: molfeat[all]; extra == "dev"
Requires-Dist: molfeat[docs]; extra == "dev"
Requires-Dist: dgl (<=2.0.0,>=1.1.1); extra == "dgl"
Requires-Dist: dgllife (>=0.3.2); extra == "dgl"
Requires-Dist: mkdocs; extra == "docs"
Requires-Dist: mike; extra == "docs"
Requires-Dist: mdx-truly-sane-lists; extra == "docs"
Requires-Dist: mkdocs-material (>=7.1.1); extra == "docs"
Requires-Dist: mkdocs-jupyter (>=0.24.8); extra == "docs"
Requires-Dist: mkdocstrings; extra == "docs"
Requires-Dist: mkdocstrings-python; extra == "docs"
Requires-Dist: markdown-include; extra == "docs"
Requires-Dist: fcd-torch; extra == "fcd"
Requires-Dist: graphormer-pretrained; extra == "graphormer"
Requires-Dist: pytorch-geometric (>=2.4.0); extra == "pyg"
Requires-Dist: pytest (>=6.0); extra == "test"
Requires-Dist: pytest-dotenv; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: pytest-xdist; extra == "test"
Requires-Dist: black (>=22); extra == "test"
Requires-Dist: ruff; extra == "test"
Requires-Dist: tokenizers (<0.13.2); extra == "transformer"
Requires-Dist: transformers; extra == "transformer"
Requires-Dist: sentencepiece; extra == "transformer"
Requires-Dist: nglview; extra == "viz"
Requires-Dist: ipywidgets; extra == "viz"
Provides-Extra: all
Provides-Extra: dev
Provides-Extra: dgl
Provides-Extra: docs
Provides-Extra: fcd
Provides-Extra: graphormer
Provides-Extra: pyg
Provides-Extra: test
Provides-Extra: transformer
Provides-Extra: viz
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 6488 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (72.1.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
molfeat/__init__.py sha256=ZygAIkX6Nbjag1czWdQa-yP-GM1mBE_9ss21Xh__JFc 34
molfeat/_version.py sha256=2FZkpDdo9Sqq3g7PSCGUFcIwbrZWykjGmG5Lbi2i0KE 410
molfeat/viz.py sha256=OPTgzQqktOpZkTVT_NNxC2BNTbw1Xhx6OjO2Uc71AX4 3718
molfeat/calc/__init__.py sha256=BSn9EBwjhP7OLYHwPjljSicOV3wisM0ET5Fi7-tyLRM 2174
molfeat/calc/_atom_bond_features.py sha256=RAIB0b-63GafjqFYutIci5GeAdxSUqVgGSKEKRcyl6s 22841
molfeat/calc/_map4.py sha256=L48qLp-nv2ATmr3_9xmE5e2eGr5PknZwfjTjUTUirWw 1472
molfeat/calc/_mhfp.py sha256=JpHIiLUS1dXrD6AnWtC0HJJSCd2wjgprG8toAqjFILE 2739
molfeat/calc/_serializable_classes.py sha256=r0-eYEqtYGrh3OJZTwkl99XQ7VK2Z8gTtXZR7o-BaV8 2342
molfeat/calc/atom.py sha256=uHgighCxklKjpZ76048xUP7DSJeBFUFHdOlist2ZHJA 14947
molfeat/calc/base.py sha256=Cx-TbpSRXJGQbyCFVxL-7ZZirs3vbzFCV7hRL9PFmnQ 6195
molfeat/calc/bond.py sha256=g1hcw2ve8_gGZG7JjIX5YeqVhtmHbi_MTnq8V96jW_U 19048
molfeat/calc/cats.py sha256=ca9A72yN7RtKp0rKhyd5gOsZWzGePXwjrkVF5fNCSzM 11041
molfeat/calc/descriptors.py sha256=mFk-RVgr82BplqbAY3qN2FpPBaLzOwGeneL8taldDQw 13576
molfeat/calc/fingerprints.py sha256=0KdznbMykgmPwnkYIyNkEz1ZMbtmCT4dqIzCPrTygiM 12088
molfeat/calc/pharmacophore.py sha256=R0AEzgVybU2M1t6gtzlzqBrEztg-cU9HJYtG7the0aM 27461
molfeat/calc/shape.py sha256=WkcUqGWLo5wUZNIHI08vg_xjyFjtdyUtJRcRufj5TNA 9784
molfeat/calc/skeys.py sha256=0nSff2gCYhJQwNthg8P02he1OZNr7mW0pL9a1PSbPik 22266
molfeat/calc/tree.py sha256=4bLzfio_ZLGTo2qc76dFOH654je-OLdRAAM13moXXn8 7478
molfeat/data/__init__.py sha256=44kjbzjeiXmbb6SDoTXh2euZ4hUgzi1IzKFSbXBhJ3A 456
molfeat/data/cats_features.fdef sha256=aO13444EYUGH-mEkIrX6KsYZsHi_a3ptGQirTm4JW_0 1512
molfeat/data/elements.xz sha256=6QB-RXhnc8ctLkVK0X3GnyzY7fQuZjE9wNNDsrJy60U 15820
molfeat/data/elements_completed.xz sha256=mohawGyZ3XnmO7tDH0bYEx8HgjmkLfAo7f4QUqRaKIg 15024
molfeat/data/origin.xz sha256=rDYui7zktmmHkTs55ktVVM83Lo9V38DNdtayNUBZ-E4 1764
molfeat/data/skey_parameters.csv sha256=Q4ci7vIu62Q_JKJUjs1WUXQrx3BAwBjYtaah_lgsSC4 2755
molfeat/plugins/__init__.py sha256=9hmZoBLrwIkxObywPIicdQWCEvkkbXvanDGkaoztzVU 49
molfeat/plugins/entry_point.py sha256=HzCDszTE8SXsN9-oZ95oMOz4WHUHqlLhRIqhzbdGHQo 7753
molfeat/plugins/exception.py sha256=CgvvHWj6yRF7B6GjD8V4BX5e6iHcVci_DVUb6R49qA8 457
molfeat/plugins/factories.py sha256=riCk-ZU6noPC_6eGdgCYvp-vVZOkc9keZQmnjvZtMQU 8762
molfeat/store/__init__.py sha256=CsoqbwQ-cKYGBcWjwiTq4OadR2RvNTI4TwhbyBN_A7U 108
molfeat/store/loader.py sha256=t2qAE8MZiXYK4nzM2igxhU77AlaRpDnz4XoOLJ1SW18 2997
molfeat/store/modelcard.py sha256=vg0JdP7rA_T8laDy9ftY2Rz8NzbOnl9n4xEZBJeW0HM 5009
molfeat/store/modelstore.py sha256=2j3nMpYRFV7DtC3i3JrVev64rZ1YKRRWVo4IjtLU9-Q 13414
molfeat/trans/__init__.py sha256=nYKsoBDj9khh8479GIt9ZBbEBq0aW9Yg29O0tLgal60 187
molfeat/trans/base.py sha256=QKCDGk2AtG1BENWzcbTpbC8erJ5wDGXwYV7fI1Nln9Q 34057
molfeat/trans/concat.py sha256=CgnopsCMD7869KV_LEmoc_354GdXDybyklx9HdM_JsU 9239
molfeat/trans/fp.py sha256=wde4VyQZDBcNm8GLLD1UFDtj-9QKefswX7WYS7Mem8o 10013
molfeat/trans/graph/__init__.py sha256=-PyMqkIyaccYrF5UOvVYIbVnxM7b7rK9T3HF8PtSkLI 471
molfeat/trans/graph/adj.py sha256=aLQEbMjBjt5aXtf_2KDzbgMlRJ6NU0I5AM_qheML6x8 28270
molfeat/trans/graph/tree.py sha256=GB7AW4QfuQugcoDoTyQ3d1GI5EYKw1ukBjmHVd30AUQ 5264
molfeat/trans/pretrained/__init__.py sha256=9QaU6ARCvEfPkrKANlv_v51bzwwFzracpJxHzeN3YJk 347
molfeat/trans/pretrained/base.py sha256=dWfi2TwDn6Pl45AfEBJoQROYFfnG_nelkrVdNyJliLw 8761
molfeat/trans/pretrained/dgl_pretrained.py sha256=Rlzi_czsF_R1so37HG4zTvsgoCgbKA-TJmfXtmRo_iI 9686
molfeat/trans/pretrained/fcd.py sha256=b7s4lX0G3OlALgLfIBzeVeESVCygm8pdgxHjxxbmQY4 1060
molfeat/trans/pretrained/graphormer.py sha256=7X1R_e_qQS15RVlPR8fLnFBnOrl4eyruDFgDHHktUEQ 6489
molfeat/trans/pretrained/hf_transformers.py sha256=KNBEnPelcq1MB-G8NJla0l-4viyPX4wKfHsOIeLY4ag 17297
molfeat/trans/struct/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
molfeat/trans/struct/esm.py sha256=6aZ5POodexJO0tkklaAUQX9igWRG0lmW0oMnr4haugc 8941
molfeat/trans/struct/prot1D.py sha256=LZ-E1JUwViqw593XVLvhroMxp5r8OQwsFy_TqMgz1Ic 7437
molfeat/utils/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
molfeat/utils/cache.py sha256=DdsBICgeofBKsyMXVQalBvCTNFEeX5cuVHfKE8rBpWA 25792
molfeat/utils/commons.py sha256=GHVDfjKHytBnAp0AQXjutX9E0bHCgoZBsJG12DAyk2E 13098
molfeat/utils/const.py sha256=oL9OgdqyIqt8L-4dUmN7E9ZvQEUBqYUDvqLWjojT_Jo 1429
molfeat/utils/converters.py sha256=oaAiy7HmdkVzvQoM7Mq-9ARHYf5Y3fbCVVgHzsKwSIk 1998
molfeat/utils/datatype.py sha256=Bmmm5fGh9wd0pq_Pro30vgbhtDUf5lCbnTHi7buxpSk 9074
molfeat/utils/log.py sha256=M_x_y0rC80d5jydbAIZU9tHo4Fy9pN3C4QUOJ1ZKYpk 988
molfeat/utils/parsing.py sha256=qGUtawJuLCbASJvkbzZ0np4B4kcaZgRMx98eORvtRpA 4439
molfeat/utils/pooler.py sha256=_GV_7JLYy3MGdSdBIvO8rDBJEuQ9nqpsTl4d87nyoFQ 7876
molfeat/utils/requires.py sha256=_r2h47Qecow3Ia-4-qaH-EVDjPhCkyf8M166y9C0aB0 1463
molfeat/utils/state.py sha256=d1T-2NlugY46yUf63EB4uSMpKGIMW7rieEJsXFOOEkw 4080
molfeat-0.10.1.dist-info/LICENSE sha256=TmmRR-RoP8ttxnNakHuXTQkIteIkIns9Nht6TPvvlkw 11308
molfeat-0.10.1.dist-info/METADATA sha256=_QIFm92FnAtn-fVjjKvGEOcZ-NAnTAxETtZ0H5-JvEU 10314
molfeat-0.10.1.dist-info/WHEEL sha256=R0nc6qTxuoLk7ShA2_Y-UWkN8ZdfDBG2B6Eqpz2WXbs 91
molfeat-0.10.1.dist-info/top_level.txt sha256=UcbLCLJ0t01KdPFiLOJ7mY3xFDyQ1vMMo6cI1Ldix4w 8
molfeat-0.10.1.dist-info/RECORD

top_level.txt

molfeat