Wheelodex » Projects » torchmd

torchmd

View on PyPI — Reverse Dependencies (1)

1.0.2 torchmd-1.0.2-py3-none-any.whl

Wheel Details

Project: torchmd
Version: 1.0.2
Filename: torchmd-1.0.2-py3-none-any.whl
Download: [link]
Size: 26253
MD5: 94bc7fc371be620f4fe1d75841e37556
SHA256: 3192a49705c6048987ac7fa8c10c7c2fafa9075b4c981428ab07747dfd6ec942
Uploaded: 2024-02-19 09:19:45 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: torchmd
Version: 1.0.2
Summary: TorchMD. Molecular dynamics with pytorch
Author-Email: Acellera <info[at]acellera.com>
Project-Url: homepage, https://github.com/torchmd/torchmd/
Project-Url: repository, https://github.com/torchmd/torchmd/
License: Copyright (c) 2020 Acellera Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Requires-Dist: pyyaml
Requires-Dist: tqdm
Requires-Dist: moleculekit
Requires-Dist: pandas
Requires-Dist: networkx
Requires-Dist: scipy
Description-Content-Type: text/markdown
License-File: LICENSE.md
[Description omitted; length: 2421 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.42.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
torchmd/__init__.py sha256=KCDFovisz5nPExT6zc7fSPM0HXYKyyfsrqzcRwdR2NQ 79
torchmd/_version.py sha256=neeav6kSgNoPSfknv9NkYLeMFhCIZElgPudRrNVR5FA 497
torchmd/forces.py sha256=rYdSvyFudYJLCKWkjlp6f4mPv_c3SdZ6qmlVZWhyRNE 22744
torchmd/integrator.py sha256=PxSQUV9vTqV4kRK8Bi5dGAQH0dG2uaoZUjPkGrendl0 2073
torchmd/minimizers.py sha256=b2G1wewHGV21Zk1ey26nDcW8Yy3SfOrtppT8woTiulc 2350
torchmd/mycalc.py sha256=_4cbynKxoWApgKZ58oeC0PVQSdGsrlh3UbppW_ir0Bg 1891
torchmd/neighbourlist.py sha256=mEs7YEiSmpRvJdZOZA87zbfassU8Cik_40MGkySONUc 1595
torchmd/npzmol.py sha256=tUu2R84dnfDOh2kskpXRdN0VcC7EbsHKm6wzEvHOyig 1487
torchmd/parameters.py sha256=OWDKDQGf39VzqK7pIBYnviRQQs5uM46Ot8QlIXbAIi0 11502
torchmd/run.py sha256=3qeVXfAyU6LuwGf9kK_ZompIbtSBMzJoglwQsifc11g 10059
torchmd/systems.py sha256=4XKLV9SJAf65zpXaY4xxZZofB2yWVUb1ZAa5b4PTarA 2796
torchmd/utils.py sha256=KKOJV1CKqzWBUjSnr37aczunuovNu0du2CGFQXMbVSg 2994
torchmd/wrapper.py sha256=GD7PFsz_lMsndiCM9rwAHDmkXll2DHojWpit_fGVcMI 1994
torchmd/forcefields/__init__.py sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs 1
torchmd/forcefields/ff_parmed.py sha256=5Tx8T_SpgVT9HaGuzFCKT4k-dQkcnOTD6AJXjgRsVPA 4146
torchmd/forcefields/ff_yaml.py sha256=QOiIwU2GPfKgtKz3VvV6T_7SKDkHDoxm4t7JbPC7PDw 3520
torchmd/forcefields/forcefield.py sha256=VcD8cmU8hfzH6VJi_GDtch9K5AQrbUi8Clf2SkM41sg 1422
torchmd-1.0.2.dist-info/LICENSE.md sha256=Wr7VCqEqkJeNDJQt0kFcPkOL2rWMPH5NgcGcD0eGb4s 1051
torchmd-1.0.2.dist-info/METADATA sha256=woghpl-0HGnpD6DSmS5fMVmNjq-nQnPa46agCiPprak 4146
torchmd-1.0.2.dist-info/WHEEL sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM 92
torchmd-1.0.2.dist-info/top_level.txt sha256=KZ3lRtF_Keqx9cF5PrbcmHjOBI_pkeLMRQLVF53dg2c 8
torchmd-1.0.2.dist-info/RECORD — —

top_level.txt

torchmd