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chem-smores

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0.0.0 chem_smores-0.0.0-py3-none-any.whl

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Project: chem-smores
Version: 0.0.0
Filename: chem_smores-0.0.0-py3-none-any.whl
Download: [link]
Size: 16217
MD5: 8d882612512ec3efbc96daed6b0494c6
SHA256: 45baf5da42274976d88787b45ae924ca86c419a318d28bafef64f8a8b5a90d66
Uploaded: 2023-01-24 16:46:01 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: chem-smores
Version: 0.0.0
Requires-Python: >=3.10
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: rdkit
Requires-Dist: stk
Requires-Dist: ase
Requires-Dist: dbstep
Requires-Dist: streusel
Requires-Dist: morfeus-ml
Requires-Dist: black; extra == "dev"
Requires-Dist: flake8; extra == "dev"
Requires-Dist: mypy; extra == "dev"
Requires-Dist: isort; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-lazy-fixture; extra == "dev"
Requires-Dist: types-pytest-lazy-fixture; extra == "dev"
Requires-Dist: sphinx; extra == "dev"
Requires-Dist: furo; extra == "dev"
Requires-Dist: twine; extra == "dev"
Requires-Dist: build; extra == "dev"
Requires-Dist: pip-tools; extra == "dev"
Requires-Dist: scikit-learn; extra == "dev"
Requires-Dist: types-Pygments; extra == "dev"
Provides-Extra: dev
License-File: LICENSE
[No description]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.38.4)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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smores/psi4.py sha256=UFfmhDGBD_uuGt2DdWXC7bXxCO2Ss4bTMdHNl36uiyo 190
smores/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
smores/xtb.py sha256=6U6dgu4LAoDzKgyuj_l_L-K5j6OU-cmsIr_Gt5cXpws 156
smores/_internal/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
smores/_internal/combine.py sha256=eNirNfcw_SZ-HvCa9cWm0FTZ1iBDadexIQKCFWVamEg 6809
smores/_internal/constants.py sha256=_zGsnCG6Qq2ZBsAOHSQorHqWbucJKE9ZScPRNZDk05Y 3261
smores/_internal/esp_molecule.py sha256=LlXsUvwIDTXi_94B1QMxrQ00jCx3lNyY8xIs9hBJicI 7380
smores/_internal/molecule.py sha256=Y-LERnHIoBUHyvUqYincj8sHn-3cd-Jug8hviinMDWo 13725
smores/_internal/psi4.py sha256=-VYM3-ebJ-ybcczPnBfIq9fYT3HHYtLbtzayJvj3c_c 8301
smores/_internal/steric_parameters.py sha256=RROpmzs_aVY3Tb2f9kgmfkbsj3g0MCkvowO5DINIBok 413
smores/_internal/utilities.py sha256=LNLWEU_XdBuReM1LeFY3b6ruF54bDuXLOjsDreCrzbk 305
smores/_internal/voxel_grid.py sha256=0y8HpfIvp3f4gAdE3TkbndXw6qqaD2tF7VbkcLhVNXs 433
smores/_internal/write_cube.py sha256=2z_A9YLpSoIfqDwXT_h-HgwdKxW4dqXN7YaXQMhCdFs 2426
smores/_internal/xtb.py sha256=ygTz54rYcaHs2GlQCrY5ei5G_7kiHg2Y7CKh6L2wFLg 2761
chem_smores-0.0.0.dist-info/LICENSE sha256=pvtuc9J3TCtoxr0tDNSB0BP-dZ7OMvn1siiBKkCRQcs 1068
chem_smores-0.0.0.dist-info/METADATA sha256=Tz77gm8wdW5U6Tta1lC8jxh3Mht3Vh4dlFD0_MVFkuU 883
chem_smores-0.0.0.dist-info/WHEEL sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo 92
chem_smores-0.0.0.dist-info/top_level.txt sha256=-A3ilMyoLD47f0lga44ammEsarWzSSS0jE7kan9GaZw 7
chem_smores-0.0.0.dist-info/RECORD — —

top_level.txt

smores