Wheelodex » Projects » autoplex

autoplex

View on PyPI — Reverse Dependencies (0)

0.1.0 autoplex-0.1.0-py3-none-any.whl

Wheel Details

Project: autoplex
Version: 0.1.0
Filename: autoplex-0.1.0-py3-none-any.whl
Download: [link]
Size: 126522
MD5: b0184c5ce1a540fae9c59bd3d9563087
SHA256: 6a51d261fb7e6b20361cbabb0a9dfc9e1c27a1cc99207cf3d8aa940c55149ca1
Uploaded: 2024-12-18 19:36:44 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: autoplex
Version: 0.1.0
Summary: Automated machine-learned Potential Landscape explorer
Author-Email: Janine George <janine.george[at]bam.de>
License: GPL-3.0 license
Keywords: high-throughput,automated,mlpotential
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Requires-Python: <3.12,>=3.10
Requires-Dist: pymatgen (>=2024.9.17.1)
Requires-Dist: atomate2[strict] (>=0.0.18)
Requires-Dist: ase (==3.23.0)
Requires-Dist: matgl (==1.1.3)
Requires-Dist: mace-torch (==0.3.9)
Requires-Dist: numpy (==1.26.4)
Requires-Dist: lightning-utilities (==0.11.9)
Requires-Dist: typing
Requires-Dist: nequip
Requires-Dist: hiphive
Requires-Dist: dgl (==2.1.0)
Requires-Dist: torchdata (==0.7.1)
Requires-Dist: quippy-ase (==0.9.14); python_version < "3.12"
Requires-Dist: torch (==2.2.1)
Requires-Dist: autodoc_pydantic (==2.2.0); extra == "docs"
Requires-Dist: ipython; extra == "docs"
Requires-Dist: jsonschema[format]; extra == "docs"
Requires-Dist: myst_parser (==2.0.0); extra == "docs"
Requires-Dist: numpydoc (==1.8.0); extra == "docs"
Requires-Dist: sphinx-copybutton (==0.5.2); extra == "docs"
Requires-Dist: sphinx (==7.2.6); extra == "docs"
Requires-Dist: sphinx_design (==0.5.0); extra == "docs"
Requires-Dist: myst-nb (==1.0.0); extra == "docs"
Requires-Dist: sphinx-book-theme (==1.1.0); extra == "docs"
Requires-Dist: sphinxcontrib-mermaid; extra == "docs"
Requires-Dist: pymatgen (==2024.10.3); extra == "strict"
Requires-Dist: atomate2[strict] (==0.0.18); extra == "strict"
Requires-Dist: matgl (==1.1.3); extra == "strict"
Requires-Dist: quippy-ase (==0.9.14); python_version < "3.12" and extra == "strict"
Requires-Dist: torch (==2.2.1); extra == "strict"
Requires-Dist: ase (==3.23.0); extra == "strict"
Requires-Dist: mace-torch (==0.3.9); extra == "strict"
Requires-Dist: lightning-utilities (==0.11.9); extra == "strict"
Requires-Dist: numpy (==1.26.4); extra == "strict"
Requires-Dist: typing; extra == "strict"
Requires-Dist: dgl (==2.1.0); extra == "strict"
Requires-Dist: torchdata (==0.7.1); extra == "strict"
Requires-Dist: nequip (==0.6.1); extra == "strict"
Requires-Dist: hiphive (==1.4); extra == "strict"
Requires-Dist: pre-commit (>=2.12.1); extra == "dev"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: pytest-mock; extra == "tests"
Requires-Dist: pytest-split; extra == "tests"
Requires-Dist: pytest-cov; extra == "tests"
Requires-Dist: types-setuptools; extra == "tests"
Provides-Extra: docs
Provides-Extra: strict
Provides-Extra: dev
Provides-Extra: tests
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 8200 characters]

WHEEL

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

RECORD

Path Digest Size
autoplex/__init__.py sha256=vIDvhwlaHsj_0UWxdjRThsqqFwhnnA90qzdtTQwV1yc 223
autoplex/auto/__init__.py sha256=6WKZAbAWr4hKd2QrGRIUm_iH2T_WDt6N0Q5fS3v7c7w 70
autoplex/auto/phonons/__init__.py sha256=XK57Y_maerl8cBMigiuyJiNAKuO8z4CHpQ8D5RiNBsM 111
autoplex/auto/phonons/flows.py sha256=e2kfVmzZ33RRFOZsKTi8R1dJh2MgDTLABi1tuJIBuPI 41114
autoplex/auto/phonons/jobs.py sha256=94Ah92SMI3PaAyWpy7kdBPrAsw9nf_8tO3PblJWDUr0 23796
autoplex/auto/rss/__init__.py sha256=RA4t_2aoYILwW-iVBxQP5BiJgD1LCReliqSpLd_cP7c 88
autoplex/auto/rss/flows.py sha256=qRwhBB0d2PxEYg2N7F32ulDK2F0Q4itqN0chV9hgoQI 16762
autoplex/auto/rss/jobs.py sha256=n4VGO01xjQV2Z-mHkRKuHpOEQKFjfut-ZQHH1JJRQyc 28650
autoplex/auto/rss/rss_default_configuration.yaml sha256=Xnn87K2XGdsXSoMKmvbpZRW_yzHqKB7p6AS5AxFfXGc 2581
autoplex/benchmark/__init__.py sha256=Rgm6XMHkDrIB18KqLXjSuAwKYFh2fvdfmSDa3OD-JBo 75
autoplex/benchmark/phonons/__init__.py sha256=ozwsF1iWAkbApzYjWFZPgcIPXv9k_Js074gNJwsorcw 74
autoplex/benchmark/phonons/flows.py sha256=npoZdbFflV24XaPe2dj1fidszydxRs-0iChkNlRVS34 2639
autoplex/benchmark/phonons/jobs.py sha256=kVKQjnRM0QOKwCSrTNHFSbRWfaSkxrXz2yLHVXqqxX0 2684
autoplex/benchmark/phonons/utils.py sha256=LzVbCZYvvcjfDq2MCRvPyFk96C_oEcm5-4DCyY3DLnk 6424
autoplex/benchmark/rss/__init__.py sha256=GYUNajAvN871fBQx1lcBMVW3plOIpRt12H71gSj-Buw 71
autoplex/data/__init__.py sha256=RA4t_2aoYILwW-iVBxQP5BiJgD1LCReliqSpLd_cP7c 88
autoplex/data/common/__init__.py sha256=1BTflPir-tKu9Kteo02-beXRyycN2AKoJOYsRy9rLlc 91
autoplex/data/common/flows.py sha256=fJsDba4PzL_yw2exUyNpadZvtspZD3zT8eUmmmtRAh8 16998
autoplex/data/common/jobs.py sha256=bIMTrvMakYWEd-G94eo5hf_BGdwttcE9pNVvfxreMxE 27222
autoplex/data/common/utils.py sha256=8Fay70r_dVvJy0-U8od_UO0xcx01lDhFGFqlqNNfJVo 53213
autoplex/data/phonons/__init__.py sha256=fQyTwCAf5vwnIG8we98Llf5fvGK0N6tAsNAwgYHlnRs 91
autoplex/data/phonons/flows.py sha256=j8Pe3Wyv54ckaw1fLCfQkXrm9tg5Bwi7ZFsSpfKSMK8 36247
autoplex/data/phonons/jobs.py sha256=-50utt2h2Lwuv0FF-Zo8apSztYwAOrBJCEDYgILOtvo 1617
autoplex/data/phonons/utils.py sha256=if9TtdIVHl-csEvfjgv9utyqqrS3qomQsbqQOdBzkaA 10302
autoplex/data/rss/__init__.py sha256=RA4t_2aoYILwW-iVBxQP5BiJgD1LCReliqSpLd_cP7c 88
autoplex/data/rss/flows.py sha256=ehdqIou-Abpkhq58-e10iiBoXkX8VHixnAJyz3HeKag 4104
autoplex/data/rss/jobs.py sha256=ZW6k42VrbsE3vwvYCTSdvRf34-mDl5anAOp245fWlgg 23985
autoplex/data/rss/utils.py sha256=mBjSm9FYKGru_MCwe1azowjuMqBGHJXzf1MJgeEp4Ww 25199
autoplex/fitting/__init__.py sha256=6fgHi-aIbQq7demcwAY29NWbqTMs409XT1hsV0roS5s 63
autoplex/fitting/common/__init__.py sha256=6fgHi-aIbQq7demcwAY29NWbqTMs409XT1hsV0roS5s 63
autoplex/fitting/common/flows.py sha256=SXNu3db7HfcSF5yhJgVc2r8WWkP_BnFsL8QzawIfTRk 16103
autoplex/fitting/common/jobs.py sha256=iATP8tbGrbFHg4-QNEYu9VOV0sNaSnLV0pyKOeHp8MQ 6011
autoplex/fitting/common/mlip-phonon-defaults.json sha256=AC2kD33GqBBTEwt6hy8hEvozdgkHv6J75kw232NRMLY 1410
autoplex/fitting/common/mlip-rss-defaults.json sha256=VLeePuFh_-dZhQyGTlE7NJkeZj9bZAPLOsxEswVg90M 1237
autoplex/fitting/common/regularization.py sha256=bREhEX8084rx72u7saft_1oBVvd04kX7CckJpzdRhos 20487
autoplex/fitting/common/utils.py sha256=UmYl3G68KCbnv5wYRaNmoiHjIgfQSLD3vKH3nnaAJeo 65908
autoplex/fitting/phonons/__init__.py sha256=6fgHi-aIbQq7demcwAY29NWbqTMs409XT1hsV0roS5s 63
autoplex/fitting/rss/__init__.py sha256=dlJhwVVqyC9k6pHT_bHhHaWJoHOEnZ40cnUacxOcv8w 77
autoplex-0.1.0.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
autoplex-0.1.0.dist-info/METADATA sha256=eeyB8lOsKACiPnOVvWbWsxEUCo4SdUjbMUdOXvrvvLc 10934
autoplex-0.1.0.dist-info/WHEEL sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U 91
autoplex-0.1.0.dist-info/top_level.txt sha256=t-CoApuu2aUFBvpDeoqps2-d77QbmmtbKVHLDjgz-uA 9
autoplex-0.1.0.dist-info/RECORD — —

top_level.txt

autoplex