load-atoms

View on PyPIReverse Dependencies (0)

0.2.14 load_atoms-0.2.14-py3-none-any.whl

Wheel Details

Project: load-atoms
Version: 0.2.14
Filename: load_atoms-0.2.14-py3-none-any.whl
Download: [link]
Size: 228694
MD5: 4ffda300633ba8b95a81a45c7fe95830
SHA256: 4b17c45d668526209655d0736ea11f43ae118915cf5eaffdb371bc9ecbe4c79a
Uploaded: 2024-04-06 05:04:52 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: load-atoms
Version: 0.2.14
Summary: Large Open Access Datasets for Atomistic Materials Science (LOAD-AtoMS)
Author-Email: John Gardner <gardner.john97[at]gmail.com>
Project-Url: Homepage, https://github.com/jla-gardner/load-atoms
License: MIT License Copyright (c) 2023 John Gardner Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Keywords: chemistry,machine learning,datasets
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.8
Requires-Dist: ase
Requires-Dist: pyyaml
Requires-Dist: requests
Requires-Dist: numpy
Requires-Dist: pydantic (>2.0.0)
Requires-Dist: rich
Requires-Dist: ipywidgets
Requires-Dist: notebook; extra == "dev"
Requires-Dist: pytest (==7.2.0); extra == "dev"
Requires-Dist: sphinx; extra == "dev"
Requires-Dist: furo; extra == "dev"
Requires-Dist: nbsphinx; extra == "dev"
Requires-Dist: sphinx-autobuild; extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: build; extra == "dev"
Requires-Dist: bumpver; extra == "dev"
Requires-Dist: twine; extra == "dev"
Requires-Dist: ruff; extra == "dev"
Requires-Dist: sphinx-autodoc-typehints; extra == "dev"
Requires-Dist: sphinx-design; extra == "dev"
Requires-Dist: sphinx-copybutton; extra == "dev"
Requires-Dist: sphinx-codeautolink; extra == "dev"
Requires-Dist: sphinxext-opengraph; extra == "dev"
Provides-Extra: dev
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2879 characters]

WHEEL

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

RECORD

Path Digest Size
load_atoms/__init__.py sha256=DE8BYw1mqyeliOv6g4CMKF_PWuSVMxO3Vl7M7xUtzKM 3925
load_atoms/atoms_dataset.py sha256=Bi6_wsWtePi7RWHDKPL_ojtVThmVf2riYgEv_-mQbNg 16811
load_atoms/progress.py sha256=9rcyJVy-EKyfiQRBiloevZR0fML3iKSmH_34ZQCRukk 3366
load_atoms/utils.py sha256=fgA1awyKAibvJi59H8i6W-0unrfF1MZzR5SIUwMmIck 5122
load_atoms/database/__init__.py sha256=RgGuxKSCxKRcXq9mWExvjVlE46CXnt4b_mIB7O58Y-Q 71
load_atoms/database/backend.py sha256=bhm5nJJ7HckQHAKQUXKS8qGsJ5CR_u1FhMLZo_59H68 4554
load_atoms/database/database_entry.py sha256=BrKeleNGIoaKC7FYSIEPpP9qqs_yp3BF8Q-jwB9QWx4 5518
load_atoms/database/internet.py sha256=pjI5doz2wrINvKBGeD_649Sh23kjHRqrpvSeUqDiylI 1166
load_atoms/database/processing/1-dummy.py sha256=V1eiApHtjmmO6faGnCbRnh-zgxaqgEAlIzsmzaoRJ3g 164
load_atoms/database/processing/AC-2D-22.py sha256=hy8mKXF5qsrzCT67V6NCS12DFQshHuZjjW1qvauOMms 2678
load_atoms/database/processing/__init__.py sha256=GaTm_GHanpVpaj3ihiUOlHFKoJVJ5dfi7FWlSrkMxGE 8885
load_atoms/database/processing/bad_qm9.txt sha256=sGJIgQ9GBmInm7-jSPsxnuA5nQeyFq-UJ4vvB7IvRvk 19136
load_atoms/database/processing/read_qm9_xyz.py sha256=lMsfKLQ07ZDCIWqRUO3IBjkQrGqYd0qtyXYNnwynemM 2653
load_atoms/visualisation/__init__.py sha256=R171q7sAd4vN2FZuNCoS5mNwJrIB1epwbg8JeXu7RRI 10711
load_atoms/visualisation/view.js sha256=SU7uRoLMYW-sL6V1wpRkq9kMncTE_wlO_f0odwS3bwA 3129
load_atoms/visualisation/x3d.script sha256=NDJHoQVz9wASN0rjgYYUBBNQfyoYCCdKjGsDFkc10TA 853705
load_atoms-0.2.14.dist-info/LICENSE sha256=_pssMsKbjeshqB7E8sGs3wr-MGpAyCFd52dDuROZLow 1069
load_atoms-0.2.14.dist-info/METADATA sha256=y1nU0xWAdVzMZPUhfE9pC9vaxBC2Htw-gr5mQe5fbmA 5955
load_atoms-0.2.14.dist-info/WHEEL sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ 92
load_atoms-0.2.14.dist-info/top_level.txt sha256=Xu4srW9Ya15AtakZog0AmzTeNelG00odcVOi7n3m3Uo 11
load_atoms-0.2.14.dist-info/RECORD

top_level.txt

load_atoms