Wheelodex » Projects » pysipfenn

pysipfenn

View on PyPI — Reverse Dependencies (0)

0.16.0 pysipfenn-0.16.0-py3-none-any.whl

Wheel Details

Project: pysipfenn
Version: 0.16.0
Filename: pysipfenn-0.16.0-py3-none-any.whl
Download: [link]
Size: 454943
MD5: c306e88dac30674226e0c74d0c5c53b7
SHA256: 51607fc4f1b782dd7af0952786a8b5fdedb9f07a02d41895152bd189dbb4b54c
Uploaded: 2024-04-04 16:24:41 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: pysipfenn
Version: 0.16.0
Summary: Python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dilute, and random atomic configurations, and (3) automated model tuning.
Author-Email: Adam Krajewski <ak[at]psu.edu>, Jonathan Siegel <jwsiegel[at]tamu.edu>
Project-Url: Repository, https://git.pysipfenn.org
Project-Url: Homepage, https://pysipfenn.org
Project-Url: Bug Tracker, https://github.com/PhasesResearchLab/pySIPFENN/issues
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.9
Requires-Dist: pymatgen (>=2024.2.20)
Requires-Dist: spglib (==2.0.2)
Requires-Dist: torch (>=2.1.0)
Requires-Dist: onnx2torch (>=1.5.2)
Requires-Dist: onnx (>=1.13.0)
Requires-Dist: numpy (>=1.25.0)
Requires-Dist: tqdm (>=4.65.0)
Requires-Dist: natsort (>=8.3.0)
Requires-Dist: pymongo (>=4.4)
Requires-Dist: pysmartdl2 (>=2.0.0)
Requires-Dist: plotly (>=5.15.0)
Requires-Dist: dnspython
Requires-Dist: ruamel.yaml
Requires-Dist: colorama
Requires-Dist: coremltools (>=7.0); extra == "dev"
Requires-Dist: onnxconverter-common (>=1.14.0); extra == "dev"
Requires-Dist: onnxsim (==0.4.33); extra == "dev"
Requires-Dist: onnxruntime (>=1.16.0); extra == "dev"
Requires-Dist: optimade[http_client] (>=1.0.0); extra == "dev"
Provides-Extra: dev
Description-Content-Type: text/markdown
License-File: LICENSE.md
[Description omitted; length: 18232 characters]

WHEEL

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

RECORD

Path Digest Size
pysipfenn/__init__.py sha256=UIOoDM7q2fIP4312qfB9CZJ9RTItArW8LLTWQcDoZ7Y 171
pysipfenn/core/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pysipfenn/core/modelAdjusters.py sha256=hDXUMpRyAPoYpOhwc08C2BvfuKEuKKLPE-KeHUdrmaE 48731
pysipfenn/core/modelExporters.py sha256=OilSy4BsuJt_NEKemTi2elmId1PHTgPzxe7FipVWCu4 14766
pysipfenn/core/pysipfenn.py sha256=0dGQX8slW50lfDorGO8J_MANchUxNQF8yjoPAb6dsQ0 66215
pysipfenn/descriptorDefinitions/KS2022.py sha256=vkr6brfBVwoy47VBrWJtXyGInKRjTIoe0Azr31ZBe_0 35080
pysipfenn/descriptorDefinitions/KS2022_dilute.py sha256=-ppKFq7iYjWp6PdEbutM5ifRqXsbd06M-8XRzplhbTk 34747
pysipfenn/descriptorDefinitions/KS2022_randomSolutions.py sha256=rx13cGGY8FzSUDlefias44CgHCBJ6cPIyEYkn5eG6f4 30793
pysipfenn/descriptorDefinitions/README.md sha256=aIsizZ6oG26uSKmITizOhaoOGf_jXgTKOqoYKVI6l98 613
pysipfenn/descriptorDefinitions/Ward2017.py sha256=KQpJlwc6ksdPHIVQ2w-qiAEmgOpdojM9DI0yZaJMRTk 34479
pysipfenn/descriptorDefinitions/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pysipfenn/descriptorDefinitions/element_properties_Ward2017KS2022.csv sha256=sPaxU4QO-LXmwAu7T0rBlLs1U-QCY-r0y350ut0i8S8 141363
pysipfenn/descriptorDefinitions/labels_KS2022.csv sha256=2Sa7-NQGneAFBhaf35Yv_cDvTrWnoh4C9txfwE7984w 5796
pysipfenn/descriptorDefinitions/labels_KS2022_dilute.csv sha256=2Sa7-NQGneAFBhaf35Yv_cDvTrWnoh4C9txfwE7984w 5796
pysipfenn/descriptorDefinitions/labels_KS2022_randomSolutions.csv sha256=2Sa7-NQGneAFBhaf35Yv_cDvTrWnoh4C9txfwE7984w 5796
pysipfenn/descriptorDefinitions/labels_Ward2017.csv sha256=EOhFK-QG4w03kBN_PMj3J3lgmfc7xHHe2QwH4capqyo 6206
pysipfenn/descriptorDefinitions/property_names_Ward2017KS2022.txt sha256=JX-FAhhOnwKP1mGLjdkh9jtsv2xFoXkhR10UJOWJuaU 702
pysipfenn/descriptorDefinitions/assets/KS2022_randomSolution_ConvergencePlot.png sha256=fN_wUsqVEb_CQpxyMhvbEll9r9sxo9tgMG2o4xfERf8 234243
pysipfenn/misc/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pysipfenn/misc/prototypeLibrary.yaml sha256=-LawqJQrGiUoT_T1Cfzo-0AvvKdZnJEs6NujrNLbz9s 1760
pysipfenn/modelsSIPFENN/README.md sha256=p5HaBRDQl3Hg7z88obFu7PiQdwgS8k7X0nuZXI7S4ig 198
pysipfenn/modelsSIPFENN/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pysipfenn/modelsSIPFENN/models.json sha256=S4YZzE7PLTq01B-x7MaPSUoYRPRkHHbr1b2C2da5caU 1420
pysipfenn/tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pysipfenn/tests/test_AllCompatibleONNX_Ward2017.py sha256=vLPGrKOKP2uguJDfg6yXcLGjVWJ_XdSqxCJquF4SMz0 946
pysipfenn/tests/test_Core_prototypeLibrary.py sha256=n1oz_Z8Zor77W7ZV7Pl4iayZajoq0eua14wEKclyVW8 4608
pysipfenn/tests/test_KS2022.py sha256=fQikDwu14kkyy4uw8zEDQa7gI9xYG1_SAwkY3xAMlp4 4820
pysipfenn/tests/test_KS2022_dilute.py sha256=m6ionn5B2PbnFwi2K6SJzWwLb7wRRYvks5ppONxmm4k 22060
pysipfenn/tests/test_KS2022_randomSolutions.py sha256=Kil_T4ufTVubSa-ZhS48_gmhOioSI9NuWOLgKze7fpY 3816
pysipfenn/tests/test_Krajewski2020_NN9NN20NN24_ONNX.py sha256=2JWLkt9_6zVuWoUBbiswrCm62hbfVg1b0hKZAx5Eg8U 1976
pysipfenn/tests/test_ModelAdjusters.py sha256=97eSPAQSC3nsO4Ds6VsolFZvbhagNI_zNWVoLTfOO70 8534
pysipfenn/tests/test_ModelExporters.py sha256=QLIJsnYG5EE6MB8X6nJkRpckWW7yekhFVlqB4z9HOsY 6701
pysipfenn/tests/test_Ward2017.py sha256=z16WsG6FoldCj3xKVHGZTpKrNcRMxPsOrYggqVc_SLg 3647
pysipfenn/tests/test_customModel.py sha256=dqTLBi7qf15ITnouW12OeMwwpMWdYs71JmyWciyLd3E 2449
pysipfenn/tests/test_pysipfenn.py sha256=sJdd04388X6QhfQ3n51VjqS3SsbC6e1ahFSvdTpEt48 25418
pysipfenn/tests/testCaseFiles/AdjusterTestDescriptors.csv sha256=bTVr1tzToSvDq3TAHCf9v_p9SjhVuUJMjxKVfeGbGII 102300
pysipfenn/tests/testCaseFiles/AdjusterTestDescriptors.npy sha256=4flhj4faZw1ItVQndI7DZ5WRj7O6B9Dze8VEYXB-Zd8 53376
pysipfenn/tests/testCaseFiles/AdjusterTestTargets.csv sha256=eYrkKGOVeS17_FXQCmw52t8Zy1JGCSS_5wq6c34b96k 1190
pysipfenn/tests/testCaseFiles/AdjusterTestTargets.npy sha256=VFWX2CcV2A8vqzkf9LOX6r2-2uDHsSsWAhMozFbzGYw 544
pysipfenn/tests/testCaseFiles/TestFile_DescriptorData_4_KS2022_labeled_enumerated.csv sha256=5K55ZhJ3Y_p62omEP1U5SmQBB_uwyWuAvczw-sClCZ4 13122
pysipfenn/tests/testCaseFiles/TestFile_DescriptorData_4_KS2022_labeled_named.csv sha256=v-vX-kWuyqOc0rTacjFiuiCpnZxEblpdAFXBQqvBJ4o 18296
pysipfenn/tests/testCaseFiles/TestFile_DescriptorData_KS2022_randomSolution_valueRangesMeans.csv sha256=XlkeW9ofKsUx0w0TW3eizzd2B1IvYFU9ebwQ9TWz5F8 3591
pysipfenn/tests/testCaseFiles/exampleInputFilesDescriptorTable.csv sha256=KC_0m_0CX8aBIlAPny2tK-tq5X_M6Lpj2uyXbD_w-AE 68010
pysipfenn/tests/testCaseFiles/prototypeLibrary-custom.yaml sha256=oMqpEaVxd4A_45VE3F3qHcH1OUFmlEKX1n5bjfjcwKI 244
pysipfenn/tests/testCaseFiles/exampleInputFiles/0-Cr8Fe18Ni4.POSCAR sha256=sgXe9cs6tJbQTa-aE_PGp0apIHrbd23SV7QC7OKY08E 1021
pysipfenn/tests/testCaseFiles/exampleInputFiles/1-Cr16Fe8Ni6.POSCAR sha256=bVqTOGg8zo5U9Yd7Wqf7mtWlO0A_1qcokL5btdRnDm8 1021
pysipfenn/tests/testCaseFiles/exampleInputFiles/10-Ce4Ti4O12.POSCAR sha256=5kdO2xOteC3qYZtE5Cv0cgyap_o3TkdsD5klpqcibas 916
pysipfenn/tests/testCaseFiles/exampleInputFiles/11-Fe10Ni20.POSCAR sha256=qwnG5qWwJOhA5OGip3yfLtSKRXWYcyspiCUceYYCjBE 1014
pysipfenn/tests/testCaseFiles/exampleInputFiles/12-Gd4Cr4O12.POSCAR sha256=IRje_7_1bymwVkCDzhpZVpuQQU2iGXrzdPRLn0I2tpI 916
pysipfenn/tests/testCaseFiles/exampleInputFiles/13-Fe16Ni14.POSCAR sha256=0NOeGnbCsIKYOvHlVHpEqiNGdlrR7R76Y4QK3kaueBs 1016
pysipfenn/tests/testCaseFiles/exampleInputFiles/14-Fe24Ni6.POSCAR sha256=mJqiUOHOgYUpZWnha8GMUoXnwYG3YG15PEAjbeUbDC4 1014
pysipfenn/tests/testCaseFiles/exampleInputFiles/15-Ta4Tl4O12.POSCAR sha256=ysxD6QhnBrLTkhszl6OlrpN7wJQeP9ioWzgAq-iIIpY 916
pysipfenn/tests/testCaseFiles/exampleInputFiles/16-Fe18Ni12.POSCAR sha256=fvrTwXvlGOHhfi4uOhh2c6Pv9fhRgiZxiLxnsySV8i0 1016
pysipfenn/tests/testCaseFiles/exampleInputFiles/17-Pr4Ga4O12.POSCAR sha256=YXCyzO6GGto5XxsgLD_Jb7Sd2uCUqscOVQGPT4bSC6I 916
pysipfenn/tests/testCaseFiles/exampleInputFiles/18-Fe28Ni2.POSCAR sha256=7EgYhLsBfW7AB2Gcx_LhiNKUY7wl_b8bZnJZI_ZMFec 1015
pysipfenn/tests/testCaseFiles/exampleInputFiles/19-Fe4Ni26.POSCAR sha256=A2yQLBX8xnTBjLjs1jDZsTrMBn4qTvFCvPNKaG7OKts 1016
pysipfenn/tests/testCaseFiles/exampleInputFiles/2-Fe8Ni22.POSCAR sha256=UMO4lkAV62-TuuxPfvL-s_CbCdOFxcDuXaB3qZrMwU0 1012
pysipfenn/tests/testCaseFiles/exampleInputFiles/20-Fe8Ni22.POSCAR sha256=cgdWmlz7g6_p8-hJh8gKkzmvXBFToqiwju6Z6gXPQG4 1012
pysipfenn/tests/testCaseFiles/exampleInputFiles/21-Fe10Ni20.POSCAR sha256=yrCaYC96Am4WsUKD_2bTkS-9fCGY3JFLND0I4VfjtVE 1014
pysipfenn/tests/testCaseFiles/exampleInputFiles/22-Fe10Ni20.POSCAR sha256=gZidTOVZYFVKHbyIbdmdMwktBJO9S8mrNwqwje64aJo 1018
pysipfenn/tests/testCaseFiles/exampleInputFiles/23-Fe12Ni18.POSCAR sha256=4y4N7iWKKXLuLr3sqyoNgKbm_PmY_ae1qEKuflALfyM 1018
pysipfenn/tests/testCaseFiles/exampleInputFiles/24-Fe16Ni14.POSCAR sha256=RzFDi7DO6thsQSNoP3U6xAkz4ndzIczhP7MCsQfJpIk 1016
pysipfenn/tests/testCaseFiles/exampleInputFiles/25-Fe12Ni18.POSCAR sha256=X8a7vJkB9_rMbkyyZohH--MU-bkKT9WbhAlWVqaay9Q 1020
pysipfenn/tests/testCaseFiles/exampleInputFiles/26-Fe8Ni22.POSCAR sha256=q3bEuk-wP-a95khKBrBfhLDnKUBPq7s7HxpJlPx3-Qo 1014
pysipfenn/tests/testCaseFiles/exampleInputFiles/27-Cr28Fe2.POSCAR sha256=U_Fo0TQ2eDdxrDR_sd8xwzyKunU2ldo5OSQ2hSl3XbM 1012
pysipfenn/tests/testCaseFiles/exampleInputFiles/28-Fe26Ni4.POSCAR sha256=TtWumqutrQuQjLv4-em68KbJ5LfkMRXI7Cza5seZUVs 1018
pysipfenn/tests/testCaseFiles/exampleInputFiles/29-Fe12Ni18.POSCAR sha256=Jhq60Qf5xImosOjIaNjJ1tRmXVVxcUbtvV-van1CKnw 1019
pysipfenn/tests/testCaseFiles/exampleInputFiles/3-Cr18Fe12.POSCAR sha256=9pGCQeewwHkSXG5VkvvNpB9UFh6COd0iSaY5lHIA7UA 1018
pysipfenn/tests/testCaseFiles/exampleInputFiles/30-Cr26Fe4.POSCAR sha256=pXD3h9eo1P0W02MAEC760hLF9ROm-xJsDVA-bhVH8oA 1012
pysipfenn/tests/testCaseFiles/exampleInputFiles/4-Fe30.POSCAR sha256=SB-kcE82ms3XQ9DL93C1zQXlWK2JHqrk2H9NhtIkXi8 1003
pysipfenn/tests/testCaseFiles/exampleInputFiles/5-Cr22Fe8.POSCAR sha256=PI5VO02s8wKV5j4QKIHIBWn7Fd3uahoU7LZ9DG8kaUY 1014
pysipfenn/tests/testCaseFiles/exampleInputFiles/6-Fe2Ni28.POSCAR sha256=aq_DCpYyylkQkKxCVFmB6RMUCNPBD_pM505-uqsHJbc 1014
pysipfenn/tests/testCaseFiles/exampleInputFiles/7-Cr18Fe12.POSCAR sha256=ldXwVMqnyql5Z4sSc2mef_mNIbTwEqm0WfjSTRpccOE 1016
pysipfenn/tests/testCaseFiles/exampleInputFiles/8-Cr2Fe16Ni12.POSCAR sha256=m-7stFh_YkgC5N2T-eW3rbLOHkgudBf7R2epKmi9TGI 1023
pysipfenn/tests/testCaseFiles/exampleInputFiles/9-Pb8O12.POSCAR sha256=7Pae6uHavtwFV7l5u9hGvSYghFOmaw_Sz3CJ1Kcxups 908
pysipfenn/tests/testCaseFiles/exampleInputFiles_500atom/1-Zr220Cu280.POSCAR sha256=A1kKNR-qinSUmeUKCuDYe6Tcl75_zn5aNd0HsLAww9Q 15121
pysipfenn/tests/testCaseFiles/exampleInputFiles_500atom/2-Zr220Cu280.POSCAR sha256=k6svNupnU0jLUzo4YJks4-fad9Up6o4lUENEHVCBNYo 15121
pysipfenn/tests/testCaseFiles/exampleInputFiles_500atom/3-Zr220Cu280.POSCAR sha256=KLxenEI33iwjxKsHfJyJmn15QM0XPH2gARayOJQHLqA 15121
pysipfenn-0.16.0.dist-info/LICENSE.md sha256=gx_uVzF-OsuqHvgCPnjA7spFAq8ATwRH3Pz8HFprE7o 7805
pysipfenn-0.16.0.dist-info/METADATA sha256=_CxUoB3CmTeDn4SVFRrC7SsGAtNh_c_dVPc3XdwRFKQ 20283
pysipfenn-0.16.0.dist-info/WHEEL sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ 92
pysipfenn-0.16.0.dist-info/top_level.txt sha256=8EVnd6--3GqtxK5H-D_y7bciYVwJ2D5LmqMYZL6nmAI 10
pysipfenn-0.16.0.dist-info/RECORD — —

top_level.txt

pysipfenn