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0.1.7 safe_mol-0.1.7-py3-none-any.whl

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Project: safe-mol
Version: 0.1.7
Filename: safe_mol-0.1.7-py3-none-any.whl
Download: [link]
Size: 51273
MD5: 9e1c3648a22582a2903fd31d7bb65035
SHA256: 01c03817ec00204c22a29b712ca0d45bd2a0e9e3a87cc99073d277061ab89c1b
Uploaded: 2024-05-10 15:51:37 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: safe-mol
Version: 0.1.7
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: 8562 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.43.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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safe/sample.py sha256=RSuG_4cLCnxsASVDyfc4ygkUSRfbHK0GiZl8YACU2i0 39204
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safe/utils.py sha256=c6wsm52LiRJa0rcPdLb34Nn1V6faNXzMRka3PKS9KmM 22577
safe/viz.py sha256=CQV38ro-DFU9K-2SQhNjbm0MLA97M3xgTa4eVMzOgJE 3509
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safe/trainer/cli.py sha256=KjSAEWPnG5VJ_RUcCHcF7HcmO_KQMQDM-zrfFyoGd9o 15829
safe/trainer/collator.py sha256=3n1CARDeUfEKX2WTauv1K73DF6AXfCCXLrQHfQzF3TI 3690
safe/trainer/data_utils.py sha256=5CTQIXABQ_hVU_QH6QtysjfjIwfPq5ZpoCwGNdycEug 5355
safe/trainer/model.py sha256=gnNKCCpL-OOWMS7p6r3lYaxT3dh0b54FdjrDHMNpRcM 9736
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safe/trainer/configs/default_config.json sha256=Ut-j19SKf4BaIdiqV9R_FuHjd4a63sEdlOeJNdUV_R8 721
safe_mol-0.1.7.dist-info/LICENSE sha256=0kvim7CjHeVMQ6ZU8F3IYra8Z9HSf18bidKTkkrCp2c 11314
safe_mol-0.1.7.dist-info/METADATA sha256=jWPKbuKMCfKnirqpvsrm2XG9WqI77XVFfllw1HWc3lY 10342
safe_mol-0.1.7.dist-info/WHEEL sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ 92
safe_mol-0.1.7.dist-info/entry_points.txt sha256=mOaQdJVpRBdiL6uQjziQSjAOSHizCveqTdL1mtwKp5k 53
safe_mol-0.1.7.dist-info/top_level.txt sha256=k9ho87WVkPYR12RolM6N7xzqWtY6mvDZzMVum8aWjBE 5
safe_mol-0.1.7.dist-info/RECORD — —

top_level.txt

safe

entry_points.txt

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