simlify

View on PyPIReverse Dependencies (0)

0.0.0.post76 simlify-0.0.0.post76-py3-none-any.whl

Wheel Details

Project: simlify
Version: 0.0.0.post76
Filename: simlify-0.0.0.post76-py3-none-any.whl
Download: [link]
Size: 36126
MD5: 89a203bde2736f479d1196a64a855c08
SHA256: cd1776039126d148d34a83511f767dfd427e6ce244c032214e8e6c3bb1e2348b
Uploaded: 2024-04-03 03:02:58 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: simlify
Version: 0.0.0.post76
Summary: Simplify your molecular simulation workflow.
Author: oasci
Author-Email: us[at]oasci.org
License: Apache-2.0
Classifier: License :: OSI Approved :: Apache Software License
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
Requires-Python: >=3.9,<4.0
Requires-Dist: loguru (<0.8.0,>=0.7.2)
Requires-Dist: mdanalysis (<3.0.0,>=2.6.1)
Requires-Dist: numpy (<2.0.0,>=1.26.2)
Requires-Dist: pint (<0.24,>=0.23)
Requires-Dist: pyarrow (<16.0.0,>=15.0.0)
Requires-Dist: ray (<3.0.0,>=2.8.1)
Requires-Dist: scipy (<2.0.0,>=1.11.4)
Requires-Dist: xarray (<2024.0.0,>=2023.12.0)
Requires-Dist: zarr (<3.0.0,>=2.16.1)
Description-Content-Type: text/markdown
[Description omitted; length: 772 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.8.1
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
simlify/__init__.py sha256=LJFW_G3V1gKF_TAaYG2sSA2RZZzfBu4ccUHJ02a_56g 1482
simlify/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
simlify/data/atomistic.py sha256=BVIfRa4HDPrBmjT-WXtjO4xKlf1Hepu_H7Vpt7VU_oE 456
simlify/data/backends/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
simlify/data/backends/_parquet.py sha256=tMO3DkDJ-BqkIcI-9TDlSaaCED2tYUUreKIEcF4ydsc 460
simlify/data/backends/_zarr.py sha256=8T2X6bNPcNtLiiCFzVxSx8hZks3e08lA-_aK2X8XEOQ 368
simlify/data/store.py sha256=BWPJQYudzu2q6Vvdeddazh3xhjoPy3OcPMC84_8TYS4 792
simlify/simulation/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
simlify/simulation/amber/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
simlify/simulation/amber/contexts.py sha256=tBJu8vQ2O5kNHa3Dhe5V7zah5u_u6-0PChNaMYsifWw 3520
simlify/simulation/amber/prep.py sha256=9O3ZFvjtHltRlN3t3jpQZtca9BbRFAD6znFMuQjKZl8 10594
simlify/simulation/amber/topo.py sha256=9DE6E7rl38f4tiHOaX8O8mXIhic_Ms5SH194Kayw9KA 12499
simlify/simulation/contexts.py sha256=I9ldf8YrwneGmnaRCJrCGz1wx9HqQeQiCObQ1OpJ9zU 14822
simlify/simulation/prep.py sha256=tg39YkDHU_EuBsIyfVY6PBAq1oIpvdV5AWO9BfhTKKw 6505
simlify/simulation/topo.py sha256=M6W35D5VhfkFi_8RylO1SiqzElpli6heilVr5muzNgk 4601
simlify/structure/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
simlify/structure/pdb/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
simlify/structure/pdb/modify/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
simlify/structure/pdb/modify/names.py sha256=od9g-8XxoMQieu-BBGKppGpjqGoJaqC-VYIdNUo_Sp0 9506
simlify/structure/pdb/modify/numbering.py sha256=SM3khEy782YOInTKvm5hZ53HzKem3w0-oWJ8dP-VV-k 4887
simlify/structure/pdb/modify/orientation.py sha256=NprZn9nLn2XP_F9lPUHHQsUvfsZ6-8uTFchH7GPfPsk 2775
simlify/structure/pdb/modify/positioning.py sha256=Q9ExiLI50c1mGpzpFLBwiHEyKyCHvK7ZNGoTcvYYluQ 1467
simlify/structure/pdb/utils.py sha256=3pAS72QJn5eSlchB_TcZvvSezSUY_uf65J_akHDQagM 9647
simlify/structure/select.py sha256=t-m0JFYmWGqVqQs5024dT7qj_YUmyb6PsFZv_Fx4OPg 1437
simlify/structure/solvent.py sha256=6eRD6y5MvzUHr4DA_sDSwPZV6Ows2_rBay1Gu6sNUzQ 1785
simlify/structure/structure.py sha256=ctx2LcXBMsPc1A2y6g3ZelTtxNB-_WCrauS-6OUf5Uk 1612
simlify/utils.py sha256=kjWSFhr3YqjemxubHXGyuWa4ldnLjXAfS8VliSQaG-E 812
simlify-0.0.0.post76.dist-info/LICENSE.md sha256=TPdFRT9tT5cbS7PVfFe7EC3ArioMo8X-KfrbH7sKPIw 10357
simlify-0.0.0.post76.dist-info/METADATA sha256=gdjlW1thC0_4jn_LNFMxTl3GTAsS6outCZhvunucWhI 1685
simlify-0.0.0.post76.dist-info/WHEEL sha256=FMvqSimYX_P7y0a7UY-_Mc83r5zkBZsCYPm7Lr0Bsq4 88
simlify-0.0.0.post76.dist-info/entry_points.txt sha256=s3Ds3SE3dGS4I7jrSSg9xYSYtk3tTaUCtbMznGbO2UU 156
simlify-0.0.0.post76.dist-info/RECORD

entry_points.txt

simlify-gen-topo = simlify.simulation.topo:cli_run_gen_topo
simlify-validate-context = simlify.simulation.contexts:cli_validate_yaml_context