Wheelodex » Projects » torch-pme

torch-pme

View on PyPI — Reverse Dependencies (0)

0.1.0 torch_pme-0.1.0-py3-none-any.whl

Wheel Details

Project: torch-pme
Version: 0.1.0
Filename: torch_pme-0.1.0-py3-none-any.whl
Download: [link]
Size: 54518
MD5: fc6f35c9b6b5e263961430ec8a1b3892
SHA256: 13f638355de046698ac8dbc984341f90582486ce13a09acc771c63f599dae8eb
Uploaded: 2024-12-05 18:37:46 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: torch-pme
Version: 0.1.0
Summary: Particle-mesh based calculations of long-range interactions in PyTorch
Author: torch-pme developers
Project-Url: homepage, https://lab-cosmo.github.io/torch-pme
Project-Url: documentation, https://lab-cosmo.github.io/torch-pme
Project-Url: repository, https://github.com/lab-cosmo/torch-pme
Project-Url: issues, https://github.com/lab-cosmo/torch-pme/issues
Project-Url: changelog, https://lab-cosmo.github.io/torch-pme/latest/references/changelog.html
License: BSD-3-Clause
Keywords: PyTorch,Auto-differentiation,Particle-Mesh Ewald,Electrostatics,Computational Materials Science,Machine Learning,Molecular Dynamics,GPU Acceleration,High-Performance Computing,Fourier Transform,TorchScript,Scientific Computing
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Operating System :: POSIX
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: Microsoft :: Windows
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Software Development :: Libraries
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.9
Requires-Dist: torch (>=2.3)
Requires-Dist: ase (>=3.22.1); extra == "examples"
Requires-Dist: chemiscope; extra == "examples"
Requires-Dist: matplotlib; extra == "examples"
Requires-Dist: metatensor-operations; extra == "examples"
Requires-Dist: scipy; extra == "examples"
Requires-Dist: vesin (>=0.2.0); extra == "examples"
Requires-Dist: vesin-torch (>=0.2.0); extra == "examples"
Requires-Dist: metatensor-torch (<0.7,>=0.6); extra == "metatensor"
Provides-Extra: examples
Provides-Extra: metatensor
Description-Content-Type: text/x-rst
License-File: LICENSE
[Description omitted; length: 3542 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.6.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
torchpme/__init__.py sha256=20q5fsNmA6NKmlwiE2glHeD95rcOoc8qH__i6D1kFAc 617
torchpme/calculators/__init__.py sha256=UQRITKlxuvrW3gy0rLE98aP9heXCYxP_x9_GREc7BZo 211
torchpme/calculators/calculator.py sha256=XUeCdoPoUAaOO1MxbJXafnt8UVM_Q83WwGIKfh3NlNY 11383
torchpme/calculators/ewald.py sha256=5IbKa9amlkLjuCG-nCSqNum89Q9W8omvtZsgEvLUtWE 6154
torchpme/calculators/p3m.py sha256=HtALCYssZjMFGTNYNc1_Dvzmkk_2uEz1f1Ksl_QOx74 3721
torchpme/calculators/pme.py sha256=m308lQLHH2mxRMGz6diC3cW2Sq85YICAJ_7ZrHSfc7s 6460
torchpme/lib/__init__.py sha256=iIiUPsvCgyTccAdq4J03y5f445cPWME_dfYgdDw_KB8 462
torchpme/lib/kspace_filter.py sha256=3hVkLi6bBpZOdtMcKefPcLnMB2CiZ6G-KrBZBL1EDAQ 15028
torchpme/lib/kvectors.py sha256=ZFPGyYBfU-0KmdThVUqFr4US6dINkvKA7fh4exnG8bQ 5470
torchpme/lib/mesh_interpolator.py sha256=5bl39wVSufsBf5i2bYvXZHGyEEpZ5bwhgDhN1bpvIbQ 18408
torchpme/metatensor/__init__.py sha256=UQRITKlxuvrW3gy0rLE98aP9heXCYxP_x9_GREc7BZo 211
torchpme/metatensor/calculator.py sha256=8f6xpCNjqLyYn3K8rjlSjQibB3ineRuS4auxVWqMHjs 7806
torchpme/metatensor/ewald.py sha256=vGCcrJ9nkcyhYPo9d-dQCBIS6lANk3PyogvKf6UGwA8 445
torchpme/metatensor/p3m.py sha256=8qvCPT5iZ9sjEzv9RAAJOpukAz3JEDCiWv4qVXNRUME 468
torchpme/metatensor/pme.py sha256=VANuldRjCPpfuj8Et7AhzCcC7BhU6AHX2uplJB54sag 450
torchpme/potentials/__init__.py sha256=wp35c7vi-e_gu0xy73ywISUofSnEHPha_93JUuVO-8I 337
torchpme/potentials/combined.py sha256=hi-jHRg0-ti_CoekG0_X52r6G4HqSi9gIpRizEceFDY 5533
torchpme/potentials/coulomb.py sha256=-aJ8wGm9kHJLVtHHQY9a_rLpVr8twbVJDFu-Rr0A1cE 4550
torchpme/potentials/inversepowerlaw.py sha256=smHH-2iSyIo4Qz8Vw0ZuYtWG73QX79gA1w_3oPqvLQE 6380
torchpme/potentials/potential.py sha256=U2RTjmNHTIFTaAuFlP2ioH625wCShhR_2mG9Fj23jy4 7568
torchpme/potentials/spline.py sha256=x94mQ37ZTkPmy1OjzEh5_-ugJqQQyFWqJ469C2PLJk4 5621
torchpme/utils/__init__.py sha256=KJqbtJuKpw4Rdm7AujizO46o-OVhSylPJPeYtrcXeh8 322
torchpme/utils/prefactors.py sha256=7X3SLOW3rG9yq7aYecEJfBcbKowwA8KOroLf1AIUoE0 392
torchpme/utils/splines.py sha256=ZhpBiY6pvVlXgOfd2-4AqUQGNNJn_G_ZuDKtyxtPqdw 13802
torchpme/utils/tuning/__init__.py sha256=jMdpBlAtamIB9R44XGYSiGWTTf8vWy4QMFn5hJrCk6g 4071
torchpme/utils/tuning/ewald.py sha256=9xlrdW6ZpLngm2rlGCqj3HaJbMqnioiYDCznA9wCaxs 5664
torchpme/utils/tuning/p3m.py sha256=axBxroTsbf0jODb_L0e9N0_FeVW7n7V9cId6GBhcxZk 6741
torchpme/utils/tuning/pme.py sha256=2bBx6l39SZ_Tc-D6gPmNUi_ud_GC5ntvH4JP97L866s 9166
torch_pme-0.1.0.dist-info/LICENSE sha256=0PXDA3L0INK_3JmvMW9qkFsngW6Lbko9lDjePaKAwt0 1507
torch_pme-0.1.0.dist-info/METADATA sha256=WhZ6snEVsq9NPuZGZqsMR23U0B13dHv0c_9hfUOLDiU 5650
torch_pme-0.1.0.dist-info/WHEEL sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U 91
torch_pme-0.1.0.dist-info/top_level.txt sha256=m7AyCDUWtxFnYbIEA_FZoGxxrq_xu42_5pUh6cExudo 9
torch_pme-0.1.0.dist-info/RECORD — —

top_level.txt

torchpme