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0.0.1 chemtrain-0.0.1-py3-none-any.whl

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Project: chemtrain
Version: 0.0.1
Filename: chemtrain-0.0.1-py3-none-any.whl
Download: [link]
Size: 114182
MD5: 747e877c1411d424518bfb6d0f95cfb1
SHA256: 8a9beeedbd20466932e1cff9fb267282d44792fa680615294792df33223a5f70
Uploaded: 2023-06-19 11:17:51 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: chemtrain
Version: 0.0.1
Summary: Training molecular dynamics potentials.
Author: Stephan Thaler
Author-Email: stephan.thaler[at]tum.de
Home-Page: https://github.com/tummfm/chemtrain
License: Apache 2.0
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: POSIX :: Linux
Classifier: Topic :: Scientific/Engineering
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Requires-Python: >=3.8
Requires-Dist: jax
Requires-Dist: jax-md
Requires-Dist: jax-sgmc
Requires-Dist: optax
Requires-Dist: dm-haiku
Requires-Dist: sympy
Requires-Dist: tree-math
Requires-Dist: cloudpickle
Requires-Dist: chex
Requires-Dist: blackjax (==0.3.0)
Requires-Dist: jaxopt
Requires-Dist: mdtraj (<=1.9.6); extra == "all"
Requires-Dist: matplotlib; extra == "all"
Provides-Extra: all
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: LICENSE_SHORT
[Description omitted; length: 2484 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.40.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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chemtrain/dimenet_basis_util.py sha256=Npv0Wl9JiVhksedEwE_DWfwv3mKVVaTPoqv_KN5njlY 5205
chemtrain/dropout.py sha256=5ZhO4xHntqj_8H6MsHhTFG7uCjoseDrwaptjBrQ_-G4 9125
chemtrain/force_matching.py sha256=NUyHuALSCMqjOvmO3Tpru8RgZwMnTvOHpzNFXKkaAwQ 7286
chemtrain/ibi.py sha256=2OHobJh-kHl6Wt-FSJwPPGqlFPYF1kv5VlSN6AhUXo0 2062
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chemtrain-0.0.1.dist-info/RECORD — —

top_level.txt

chemtrain