Wheelodex » Projects » rxn-reaction-preprocessing » rxn_reaction_preprocessing-2.4.0-py3-none-any.whl

rxn-reaction-preprocessing

View on PyPI — Reverse Dependencies (1)

2.4.0 rxn_reaction_preprocessing-2.4.0-py3-none-any.whl

Wheel Details

Project: rxn-reaction-preprocessing
Version: 2.4.0
Filename: rxn_reaction_preprocessing-2.4.0-py3-none-any.whl
Download: [link]
Size: 97710
MD5: 688a1cdfaec8edd6aa24bbd14f9b669b
SHA256: 10609e1a6824bfa6b6e93e090c96a73b3380b45ee73f15fc3e027c3d08deebc6
Uploaded: 2023-09-18 09:21:04 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: rxn-reaction-preprocessing
Version: 2.4.0
Summary: Reaction preprocessing tools
Author: IBM RXN team
Author-Email: rxn4chemistry[at]zurich.ibm.com
Home-Page: https://github.com/rxn4chemistry/rxn-reaction-preprocessing
Project-Url: Documentation, https://rxn4chemistry.github.io/rxn-reaction-preprocessing/
Project-Url: Repository, https://github.com/rxn4chemistry/rxn-reaction-preprocessing
License: MIT
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.7
Requires-Dist: attrs (>=21.2.0)
Requires-Dist: click (>=7.1.2)
Requires-Dist: hydra-core (>=1.1.0)
Requires-Dist: numpy (>=1.16.5)
Requires-Dist: pandas (>=1.1.1)
Requires-Dist: rxn-chem-utils (>=1.0.4)
Requires-Dist: rxn-utils (>=1.5.0)
Requires-Dist: tabulate (>=0.8.7)
Requires-Dist: xxhash (>=2.0.0)
Requires-Dist: black (>=22.3.0); extra == "dev"
Requires-Dist: bump2version (>=1.0.1); extra == "dev"
Requires-Dist: flake8 (>=3.8.4); extra == "dev"
Requires-Dist: isort (>=5.9.3); extra == "dev"
Requires-Dist: mypy (>=0.950); extra == "dev"
Requires-Dist: pre-commit (>=2.9.2); extra == "dev"
Requires-Dist: pylint (>=2.6.0); extra == "dev"
Requires-Dist: pytest-cov (>=2.10.1); extra == "dev"
Requires-Dist: pytest (>=6.1.2); extra == "dev"
Requires-Dist: types-click (>=7.1.1); extra == "dev"
Requires-Dist: types-dataclasses (>=0.1.4); extra == "dev"
Requires-Dist: types-setuptools (>=57.4.2); extra == "dev"
Requires-Dist: types-tabulate (>=0.1.0); extra == "dev"
Requires-Dist: rdkit (>=2022.3.3); extra == "rdkit"
Provides-Extra: dev
Provides-Extra: rdkit
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4426 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
rxn/reaction_preprocessing/__init__.py sha256=Cu07YLWJTKalKr4gjqkBYZtlld4egRbC3tuUOdxcm8I 691
rxn/reaction_preprocessing/augmenter.py sha256=HNCSIi2GTMTV5kI4zBndSAA-yYixYRMXjIfXL42Vn7w 11469
rxn/reaction_preprocessing/cleaner.py sha256=fTnVcsTEFxCjI_OIkZLI4A5UP9jNm6NWwT9ckXzAd5E 324
rxn/reaction_preprocessing/config.py sha256=VHfRaD4qsvw1d9eMkhMGLEtBNWip6nNDNtKAQdcn09Q 12618
rxn/reaction_preprocessing/importer.py sha256=rfc9QLRfxPs4bO-lcHepor5Ay2fiukfXV45Z3S6aj_k 11044
rxn/reaction_preprocessing/main.py sha256=Esz63ozbAnN5vRpivoqyCmbDynGUBR-RwuXAWotHK-8 2930
rxn/reaction_preprocessing/mixed_reaction_filter.py sha256=4BS5mjsZXlexHUqvBhP8nG6pKoqsoDtbbJigVNKJF24 14394
rxn/reaction_preprocessing/molecule_standardizer.py sha256=MJB7S-lZE4GGU-OKJjCNv8fJgtQRIMS6puDXavlkaxo 7678
rxn/reaction_preprocessing/pistachio_record_standardizer.py sha256=R1kCgeX2SxUTsNeUmU8cDbkAX0as86geO3CH7CgTdy4 4806
rxn/reaction_preprocessing/preprocessor.py sha256=OWCyvDWj6qJvXuRVLVNHZJYEs197hpwW6z3oCdHoXFM 8927
rxn/reaction_preprocessing/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
rxn/reaction_preprocessing/reaction_standardizer.py sha256=XNJq8qErG08Xy2fTXumI5KElzawaUsVhEVGf2sieEiA 1494
rxn/reaction_preprocessing/smiles_tokenizer.py sha256=_BHjZTkWJNcAzCuRRJ_T5KsSRR9Gf5fxxmOHeuOIbq4 1435
rxn/reaction_preprocessing/special_tokens.py sha256=kAPoGNyPffwa_v9TKe4w06qIzB2pcE6K9nP8Spvh-V4 6254
rxn/reaction_preprocessing/stable_data_splitter.py sha256=2U57zgYPDTKE0eUEwIabYM63dyAc0nvkz4_YFPHeoAI 6707
rxn/reaction_preprocessing/standardizer.py sha256=C_NxSpEB9MOc4nSoMHaTq8NekpA2dyEnXNrAl2eqTtM 7748
rxn/reaction_preprocessing/utils.py sha256=LiH-qVU7vgp7NOvZm4yw1niQPj0HRWOaryw4SrZtDy4 3118
rxn/reaction_preprocessing/annotations/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
rxn/reaction_preprocessing/annotations/annotation_criterion.py sha256=xG3iCb4fQAgKDE3bzCZYxeqffosa20WYRlhp4QtfIy0 3146
rxn/reaction_preprocessing/annotations/annotation_info.py sha256=XZ4G1Mba9WxhkXuGd3_9o5V2vx_5rUbon7eqOZUUpCY 1952
rxn/reaction_preprocessing/annotations/missing_annotation_detector.py sha256=ayA-QqvWKanDMeG0WS-ms-aJGsIp4FAeS8s5o770JJY 4321
rxn/reaction_preprocessing/annotations/molecule_annotation.py sha256=dYNf-R2kVuFaSmTJ-BomQeG9EQmy1QXgH4P_E8PhTLI 3340
rxn/reaction_preprocessing/annotations/molecule_replacer.py sha256=vNC_lRhV0wmKh99wz2L_5fKvGfav4p3AgohZw1Rv2bc 3381
rxn/reaction_preprocessing/annotations/rejected_molecules_filter.py sha256=Z0x0TbAuxwml9C5z2p_zKaFWGg-9ok-KQb_Mg27ftZs 2274
rxn/reaction_preprocessing/data/standardization-files/catalyst-annotation-210428.json sha256=rpHNcGrHsmfb35J7-37wZsEwXkB2_ZvWIsU-3um4CgA 483074
rxn/reaction_preprocessing/data/standardization-files/catalyst-annotation-210826.json sha256=j6WGmL2z00RlUF8uHcvMQIY63zHC89vyBMAbJ8T-cR8 116582
rxn/reaction_preprocessing/data/standardization-files/pistachio-200302.json sha256=yyPhHLD_Sf4tlAb__0asvQ7OlBYLrIo-otWyGdswYDc 16880
rxn/reaction_preprocessing/data/standardization-files/pistachio-210428.json sha256=0W70dJn_6JTm84VTZR1UAnwM7ZQWUd-vcSi__lo202s 18321
rxn/reaction_preprocessing/scripts/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
rxn/reaction_preprocessing/scripts/annotation_check.py sha256=mMObzW4YApnov9zthDmrMMqG_9P3CR-9JQmucwSGgOs 2571
rxn/reaction_preprocessing/scripts/combine_class_token.py sha256=LwfDFigA1MWkcaU5arpU4tulwMqIAbkDIQ9yyKOZaaU 1521
rxn/reaction_preprocessing/scripts/find_missing_annotations.py sha256=OAe0LIVKI2DJFkeiLb4g4eikMx7-3I_1mKKGHKKn7hw 1767
rxn/reaction_preprocessing/scripts/standardize_pistachio_records.py sha256=7uMTeoBVRZlQ6AsJQFtPxnKPqXC6iPuGkuPFw1rYJpM 2081
rxn_reaction_preprocessing-2.4.0.dist-info/LICENSE sha256=C-VgIhjJqX4WDILwUxB96ew-EbZ1ypgNnrLC7mXYeVA 1070
rxn_reaction_preprocessing-2.4.0.dist-info/METADATA sha256=vcnr_OBLr1fhxtyb1seaxIExAwKv-XNu8InW-sV8rG0 6445
rxn_reaction_preprocessing-2.4.0.dist-info/WHEEL sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A 92
rxn_reaction_preprocessing-2.4.0.dist-info/entry_points.txt sha256=EXeU4kAWhWVIlWuGiwNHNpbjr57ZJ089VVU3nyuW6-o 276
rxn_reaction_preprocessing-2.4.0.dist-info/top_level.txt sha256=1k4ww_NEi3l5UGgHZQ-bcD-eona7vmT8VkQtodGkca8 4
rxn_reaction_preprocessing-2.4.0.dist-info/RECORD — —

top_level.txt

rxn

entry_points.txt

[console_scripts]
rxn-combine-class-token = rxn.reaction_preprocessing.scripts.combine_class_token:main
rxn-data-pipeline = rxn.reaction_preprocessing.main:data_pipeline
rxn-standardize-pistachio-records = rxn.reaction_preprocessing.scripts.standardize_pistachio_records:main