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0.1.12 safe_mol-0.1.12-py3-none-any.whl

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Project: safe-mol
Version: 0.1.12
Filename: safe_mol-0.1.12-py3-none-any.whl
Download: [link]
Size: 60362
MD5: fdcb026e2c565a381a6f63f1a1a088f9
SHA256: 1283a1f92603f68a57743111d4e519cd8a6fa2bda01fa331f022c89ac5ed0cf0
Uploaded: 2024-09-20 16:11:58 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: safe-mol
Version: 0.1.12
Summary: Implementation of the 'Gotta be SAFE: a new framework for molecular design' paper
Author-Email: Emmanuel Noutahi <emmanuel.noutahi[at]gmail.com>
Project-Url: Source Code, https://github.com/datamol-io/safe
Project-Url: Bug Tracker, https://github.com/datamol-io/safe/issues
Project-Url: Documentation, https://safe-docs.datamol.io/
License: Apache-2.0
Keywords: safe,smiles,de novo,design,molecules
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 :: 3.9
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Requires-Python: >=3.9
Requires-Dist: tqdm
Requires-Dist: loguru
Requires-Dist: typer
Requires-Dist: universal-pathlib
Requires-Dist: datamol
Requires-Dist: numpy
Requires-Dist: torch (>=2.0)
Requires-Dist: transformers
Requires-Dist: datasets
Requires-Dist: tokenizers
Requires-Dist: accelerate
Requires-Dist: evaluate
Requires-Dist: wandb
Requires-Dist: huggingface-hub
Requires-Dist: rdkit
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 8527 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (74.1.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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safe/converter.py sha256=CoV6SCEUJjsRpj2hqLA2T38JKx0L2EiP3w73nDKoWdc 18796
safe/io.py sha256=STaTZTlIehXUTufpWBf1mvmubjJbQzsxwqajs0VDrq8 3041
safe/sample.py sha256=T1xuKE1UGBlTCJ32MbrVoBndz7wnVMU7jz1686CoT4s 47682
safe/tokenizer.py sha256=sJRWtvERDX6uUE4s82VF2F1nDIcQpO3h_-Hw4J_tDYU 25797
safe/utils.py sha256=c6wsm52LiRJa0rcPdLb34Nn1V6faNXzMRka3PKS9KmM 22577
safe/viz.py sha256=CQV38ro-DFU9K-2SQhNjbm0MLA97M3xgTa4eVMzOgJE 3509
safe/trainer/__init__.py sha256=aPotiXX7HUCecg5YG3rYa7ExSMZccjIUP8xqovyIpKw 41
safe/trainer/cli.py sha256=GtJ4mv4sZHCgYGRw04vwvmiZzZoMNEhGvxENH-LIg7w 15993
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safe/trainer/trainer_utils.py sha256=lJVS09OYyvuza_wxGCgzHbqig5ymv7i6wGZyjFwLLOo 2401
safe/trainer/configs/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
safe/trainer/configs/default_config.json sha256=Ut-j19SKf4BaIdiqV9R_FuHjd4a63sEdlOeJNdUV_R8 721
safe_mol-0.1.12.dist-info/LICENSE sha256=0kvim7CjHeVMQ6ZU8F3IYra8Z9HSf18bidKTkkrCp2c 11314
safe_mol-0.1.12.dist-info/METADATA sha256=RHhHasYy-IXjO4QVTKksj8b-SF5ooVH-3ZmjZNDeY6Q 10307
safe_mol-0.1.12.dist-info/WHEEL sha256=cVxcB9AmuTcXqmwrtPhNK88dr7IR_b6qagTj0UvIEbY 91
safe_mol-0.1.12.dist-info/entry_points.txt sha256=mOaQdJVpRBdiL6uQjziQSjAOSHizCveqTdL1mtwKp5k 53
safe_mol-0.1.12.dist-info/top_level.txt sha256=k9ho87WVkPYR12RolM6N7xzqWtY6mvDZzMVum8aWjBE 5
safe_mol-0.1.12.dist-info/RECORD — —

top_level.txt

safe

entry_points.txt

[console_scripts]
safe-train = safe.trainer.cli:main