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0.3.3 franken-0.3.3-py3-none-any.whl

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Project: franken
Version: 0.3.3
Filename: franken-0.3.3-py3-none-any.whl
Download: [link]
Size: 134364
MD5: 2bbde287c0361f1d4205e31cb62995a2
SHA256: 66806650c5206d5dbe625fe56217b492f20369a4a90d55334444e5359fefde83
Uploaded: 2025-03-28 14:55:48 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.4
Name: franken
Version: 0.3.3
Summary: Franken fine-tuning scheme for ML potentials
Author: Giacomo Meanti, Luigi Bonati, Pedro Juan Buigues Jorro
Author-Email: Pietro Novelli <pietronvll[at]gmail.com>
Project-Url: Homepage, https://github.com/CSML-IIT-UCL/mlpot_transfer
Project-Url: Documentation, https://github.com/CSML-IIT-UCL/mlpot_transfer
Keywords: franken,molecular dynamics,potentials
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.10
Requires-Dist: ase
Requires-Dist: e3nn
Requires-Dist: hydra-core
Requires-Dist: numpy
Requires-Dist: omegaconf
Requires-Dist: psutil
Requires-Dist: requests
Requires-Dist: scipy
Requires-Dist: torch (>=2.4.0)
Requires-Dist: tqdm
Requires-Dist: cupy; extra == "cuda"
Requires-Dist: black (~=24.0); extra == "develop"
Requires-Dist: pre-commit; extra == "develop"
Requires-Dist: pytest; extra == "develop"
Requires-Dist: ruff; extra == "develop"
Requires-Dist: fairchem-core; extra == "fairchem"
Requires-Dist: mace-torch; extra == "mace"
Requires-Dist: sevenn; extra == "sevenn"
Provides-Extra: cuda
Provides-Extra: develop
Provides-Extra: fairchem
Provides-Extra: mace
Provides-Extra: sevenn
Description-Content-Type: text/markdown
License-Expression: MIT
License-File: LICENSE.txt
[Description omitted; length: 3000 characters]

WHEEL

Wheel-Version: 1.0
Generator: hatchling 1.27.0
Root-Is-Purelib: true
Tag: py3-none-any

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entry_points.txt

[console_scripts]
franken.asemd = franken.mdgen.asemd:md_cli_entry_point
franken.autotune = franken.autotune.script:cli_entry_point
franken.backbones = franken.backbones.cli:main
franken.create_lammps_model = franken.calculators.lammps:create_lammps_model_cli
franken.mdgen.postprocess = franken.mdgen.postprocess:pp_cli_entry_point