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RXNMapper

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0.3.0 rxnmapper-0.3.0-py3-none-any.whl

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Project: RXNMapper
Version: 0.3.0
Filename: rxnmapper-0.3.0-py3-none-any.whl
Download: [link]
Size: 3006761
MD5: d084bc976cf26f0da4ca8236f6531007
SHA256: dae0cd269a7ceee7c81e59b0450d3d9afe83f614015d17c7c9c05380602e528b
Uploaded: 2023-06-16 14:07:07 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: rxnmapper
Version: 0.3.0
Summary: Reaction atom-mapping from transformers
Author: IBM RXN team
Author-Email: rxn4chemistry[at]zurich.ibm.com
Home-Page: https://github.com/rxn4chemistry/rxnmapper
License: MIT
Classifier: Operating System :: OS Independent
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
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: >=3.6
Requires-Dist: pandas (>=1.0.3)
Requires-Dist: rxn-chem-utils (>=1.0.3)
Requires-Dist: scipy (>=1.4.1)
Requires-Dist: torch (<2.1,>=1.5.0)
Requires-Dist: transformers (>=4.0.0)
Requires-Dist: black (>=22.1.0); extra == "dev"
Requires-Dist: bump2version (>=1.0.1); extra == "dev"
Requires-Dist: flake8 (>=3.7.9); extra == "dev"
Requires-Dist: isort (>=5.10.0); extra == "dev"
Requires-Dist: mypy (>=0.910); extra == "dev"
Requires-Dist: pytest (>=5.4.1); extra == "dev"
Requires-Dist: sphinx-rtd-theme (==0.4.3); extra == "dev"
Requires-Dist: sphinx (==2.2.1); extra == "dev"
Requires-Dist: twine (==3.1.1); extra == "dev"
Requires-Dist: types-setuptools (>=62.6.0); extra == "dev"
Requires-Dist: rdkit-pypi (>=2021.3.2); python_version < "3.7" and extra == "rdkit"
Requires-Dist: rdkit (>=2022.3.4); python_version >= "3.7" and extra == "rdkit"
Provides-Extra: dev
Provides-Extra: rdkit
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3826 characters]

WHEEL

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Tag: py3-none-any

RECORD

Path Digest Size
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rxnmapper/attention.py sha256=c5QOYpCSmQB9Uvw2IgEh7o3vHrn-be4U5qxhbju6uOo 18600
rxnmapper/batched_mapper.py sha256=NxakwPhCnX-i4jALyNeTH2JY5ZuuX9i7Bq2lNesScs0 5066
rxnmapper/core.py sha256=ILA46zZTk3qs8FCIQFWwayFO_-K_nCSSjwNbAKv41-I 10524
rxnmapper/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
rxnmapper/smiles_utils.py sha256=-v7LeSaOOfPWvqePccZiaC1W_yo-84o76R9cxnGx2Ks 17181
rxnmapper/tokenization_smiles.py sha256=_GCyyEpssHyVN2CsyXDW2bx1BChcvGaDr9HPQsGagv4 5836
rxnmapper/models/transformers/albert_heads_8_uspto_all_1310k/config.json sha256=6g8xRK8dE6XVkoz_AavY58FKuDH_e21zoU1BYoZKh28 1219
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rxnmapper-0.3.0.dist-info/RECORD — —

top_level.txt

rxnmapper
tests