janus-core

View on PyPIReverse Dependencies (1)

0.6.6 janus_core-0.6.6-py3-none-any.whl

Wheel Details

Project: janus-core
Version: 0.6.6
Filename: janus_core-0.6.6-py3-none-any.whl
Download: [link]
Size: 85213
MD5: c44a0bc068119476952c4e63a30a2728
SHA256: d2a9df50bb597d1830e244c851ac9c0bd3c15902ecb934d775c0766644c85a23
Uploaded: 2024-11-21 14:04:00 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: janus-core
Version: 0.6.6
Summary: Tools for machine learnt interatomic potentials
Author: Elliott Kasoar
Home-Page: https://github.com/stfc/janus-core/
Project-Url: Documentation, https://stfc.github.io/janus-core/
Project-Url: Repository, https://github.com/stfc/janus-core/
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Requires-Python: >=3.9,<4.0
Requires-Dist: alignn (==2024.5.27); extra == "all" or extra == "alignn"
Requires-Dist: ase (<4.0,>=3.23)
Requires-Dist: chgnet (==0.3.8); extra == "all" or extra == "chgnet"
Requires-Dist: codecarbon (<3.0.0,>=2.5.0)
Requires-Dist: dgl (==2.1.0); extra == "all" or extra == "m3gnet"
Requires-Dist: mace-torch (==0.3.8)
Requires-Dist: matgl (==1.1.3); extra == "all" or extra == "m3gnet"
Requires-Dist: numpy (<2.0.0,>=1.26.4)
Requires-Dist: phonopy (<3.0.0,>=2.23.1)
Requires-Dist: pyyaml (<7.0.0,>=6.0.1)
Requires-Dist: rich (<14.0.0,>=13.9.1)
Requires-Dist: seekpath (<2.0.0,>=1.9.7)
Requires-Dist: sevenn (==0.10.0); extra == "all" or extra == "sevennet"
Requires-Dist: spglib (<3.0.0,>=2.3.0)
Requires-Dist: torch (<=2.2,>=2.1)
Requires-Dist: torch-dftd (==0.4.0)
Requires-Dist: torch_geometric (<3.0.0,>=2.5.3); extra == "all" or extra == "sevennet"
Requires-Dist: torchdata (==0.7.1); extra == "all" or extra == "m3gnet"
Requires-Dist: typer (<0.13.0,>=0.12.5)
Requires-Dist: typer-config (<2.0.0,>=1.4.0)
Provides-Extra: alignn
Provides-Extra: all
Provides-Extra: chgnet
Provides-Extra: m3gnet
Provides-Extra: sevennet
Description-Content-Type: text/markdown
[Description omitted; length: 11888 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.9.1
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
janus_core/__init__.py sha256=ICyM1gjuke0u52Ww4JkpDQQKcknXrI9rYvI8jXpPkQc 168
janus_core/calculations/base.py sha256=J5LMyHVTroe14v93nB2grdwKK-mxhZx5qQaOtG70SE0 7545
janus_core/calculations/descriptors.py sha256=gpKhTIwZenYxApiuQog3vBRvf1qw6pIBIwBvh1uHTLo 9807
janus_core/calculations/eos.py sha256=eaYN5Lidm1rd4Tis76XsCKhrYAKSK0Ie29OObX3hjHE 15331
janus_core/calculations/geom_opt.py sha256=fdLgvGOtaN8KIsJmPOxFAJMgic8vAyADNA9_bO5I7bY 14945
janus_core/calculations/md.py sha256=xWu7CuHeFXrlnkbQUxxnJ88sgD605oEICmDCt9-GVdk 55132
janus_core/calculations/phonons.py sha256=6RVs7um28y0I32EOl1YQbaLZwgTBQ55W58Lb9EFbSRM 36240
janus_core/calculations/single_point.py sha256=CURPK5OKzZtNH_EWckWsXTuFQbTcpSRb4gL10qFFUzc 11643
janus_core/cli/descriptors.py sha256=3BzuiR10RGTqfUJ6EDY7m2z8S2uU6MzUeWTlWoDDx1k 6065
janus_core/cli/eos.py sha256=TNqOed0mh8GkBPlBhmPs7K7-9ikmYjI53kXgn_2GIsU 7847
janus_core/cli/geomopt.py sha256=GMYHsNw9migjJ8Ar_uqrgKVCx8J5BDsWF015S-iynSw 11403
janus_core/cli/janus.py sha256=AoTg8dXKXF9p1ODT0iejT5wigSXxp_PPDPQ6t3U-frE 1744
janus_core/cli/md.py sha256=VrlM74cZCoGaC569RdVg_u4LX1g0PUcP1eq1oEVkbwY 15626
janus_core/cli/phonons.py sha256=y_fdEOHC2ih4DrLM_j0BBzAxPbjwRxu7s4KRWsKeno0 12497
janus_core/cli/preprocess.py sha256=Uqg5WpdLQKWvriTp39HugGItpTd6zcvof7coAbAGIuQ 2208
janus_core/cli/singlepoint.py sha256=RXI2f1PIYaFQ4ccFPSoY99Ztgc6ycfZT5AqjXl5hUnU 5558
janus_core/cli/train.py sha256=2-hZo9XVz1M_BIhi1tcELKYbEEvbz-FarCs2pydZ-Cw 3246
janus_core/cli/types.py sha256=d0Ma-LMF9g3wePWi0_9syYq-mqbXB6N9R7Q71FTW4E8 6100
janus_core/cli/utils.py sha256=zkyo40yJuL-hDWQlQWrM4grjz4IV6XX9JHUZS27xDpk 8262
janus_core/helpers/janus_types.py sha256=WlaXEQnHriBqwdIZzmImKZJRzjKaP3KtXEh9s4dTp3Q 4275
janus_core/helpers/log.py sha256=sTXsX0Y3l4nxonlEHZNyq5hhHhAE05T5BG4DcF964sM 6312
janus_core/helpers/mlip_calculators.py sha256=CGuofLr8fGlvlFXZg4da9e3rkgrYfb2Q3kWukX5P6IE 8988
janus_core/helpers/stats.py sha256=28L7QW6f6il0hHV1yyYRgsgV8iTGWJZkpBDEGAp3JjY 5800
janus_core/helpers/struct_io.py sha256=m3LlNHzHim2QVcsQ8Ix0jFKEATzfPuJ5hnyJnYbK498 10080
janus_core/helpers/utils.py sha256=YbJiy4sYfnD6TDLmnZq7mZgchgENj3AOHx6E7bnaVec 12524
janus_core/processing/correlator.py sha256=3Xhpziu5RZlaY-FxtaoQ6Vena9_VbPY80G0fXQWtmJM 8873
janus_core/processing/observables.py sha256=Jw5UtsqcY8Ibs-y1lJjpedUXqbwS23cFgSVoy5M49pk 1937
janus_core/processing/post_process.py sha256=Z_WZfxVa_M4qx38cKZQh5iuBHiV7SZAypRdc8WgH5pg 9524
janus_core/processing/symmetry.py sha256=85G2ew4HLzFijP91PBq0-8HAnD--SmpUEIvbJsYixUE 1537
janus_core/training/preprocess.py sha256=wKU0WkyNN8DFXWOuXEvBnNv4Eeg2yBDNYTyUnqGfPh4 2883
janus_core/training/train.py sha256=6vuEiVj5_Zw7czit__ShsA8Qmk41EaQLwp2wl28VDF8 2648
janus_core-0.6.6.dist-info/LICENSE sha256=Lq4ZnoTFX4CLI89sLrk-40U3_-7KR_iqn973FDV7YdI 1533
janus_core-0.6.6.dist-info/METADATA sha256=tszEKegYIy-I8oBHDFfIF0p9pCnn7xLQMoIfzq5wVlQ 13928
janus_core-0.6.6.dist-info/WHEEL sha256=Nq82e9rUAnEjt98J6MlVmMCZb-t9cYE2Ir1kpBmnWfs 88
janus_core-0.6.6.dist-info/entry_points.txt sha256=ZRSWB58jOl4nDikcptLc6cGqX8nn8g8Guf1njkandK0 50
janus_core-0.6.6.dist-info/RECORD

entry_points.txt

janus = janus_core.cli.janus:app