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0.3.0 physicsml-0.3.0-py3-none-any.whl

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Project: physicsml
Version: 0.3.0
Filename: physicsml-0.3.0-py3-none-any.whl
Download: [link]
Size: 193283
MD5: 1f6ee72bfb82fd81595a3134086850f9
SHA256: 2b4a666569478641ba03daa3d6e27d73230fd318ed4b246bcf6757daac6f882f
Uploaded: 2024-04-26 08:47:12 +0000

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METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: physicsml
Version: 0.3.0
Summary: A package for all physics based/related models
Author: Exscientia
Maintainer: Exscientia
Project-Url: documentation, https://github.com/exscientia/physicsml/issues
Project-Url: repository, https://github.com/exscientia/physicsml.git
Project-Url: issue-tracker, https://github.com/exscientia/physicsml/issues
Project-Url: changelog, https://github.com/exscientia/physicsml/src/main/CHANGELOG.md
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Typing :: Typed
Requires-Python: >=3.8
Requires-Dist: molflux
Requires-Dist: torch (>=2.0)
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Requires-Dist: pre-commit; extra == "dev"
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Requires-Dist: openeye-toolkits (<2023.0.0); python_version == "3.8" and extra == "openeye"
Requires-Dist: rdkit; extra == "openmm"
Requires-Dist: rdkit; extra == "rdkit"
Requires-Dist: coverage[toml]; extra == "tests"
Requires-Dist: coverage-badge; extra == "tests"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: h5py; extra == "tests"
Requires-Dist: mypy; extra == "typing"
Requires-Dist: types-PyYAML; extra == "typing"
Requires-Dist: types-setuptools; extra == "typing"
Provides-Extra: ase
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: openeye
Provides-Extra: openmm
Provides-Extra: rdkit
Provides-Extra: tests
Provides-Extra: typing
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1922 characters]

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physicsml-0.3.0.dist-info/RECORD — —

top_level.txt

physicsml

entry_points.txt

[molflux.features.plugins.physicsml]
allegro = physicsml.models.allegro.allegro_prism:Allegro
ani = physicsml.models.ani.ani_prism:ANI
egnn = physicsml.models.egnn.egnn_prism:EGNN
mace = physicsml.models.mace.mace_prism:MACE
nequip = physicsml.models.nequip.nequip_prism:Nequip
physicsml_features = physicsml.featurisation.physicsml_features.physicsml_features:PhysicsMLFeatures
[molflux.modelzoo.plugins.physicsml]
adapter_egnn_model = physicsml.models.egnn.adapter.adapter_egnn_model:AdapterEGNNModel
adapter_mace_model = physicsml.models.mace.adapter.adapter_mace_model:AdapterMACEModel
adapter_nequip_model = physicsml.models.nequip.adapter.adapter_nequip_model:AdapterNequipModel
allegro_model = physicsml.models.allegro.supervised.allegro_model:AllegroModel
ani_model = physicsml.models.ani.supervised.ani_model:ANIModel
egnn_model = physicsml.models.egnn.supervised.egnn_model:EGNNModel
ensemble_ani_model = physicsml.models.ani.ensemble.ensemble_ani_model:EnsembleANIModel
mace_model = physicsml.models.mace.supervised.mace_model:MACEModel
mean_var_allegro_model = physicsml.models.allegro.mean_var.mean_var_allegro_model:MeanVarAllegroModel
mean_var_ani_model = physicsml.models.ani.mean_var.mean_var_ani_model:MeanVarANIModel
mean_var_egnn_model = physicsml.models.egnn.mean_var.mean_var_egnn_model:MeanVarEGNNModel
mean_var_mace_model = physicsml.models.mace.mean_var.mean_var_mace_model:MeanVarMACEModel
mean_var_nequip_model = physicsml.models.nequip.mean_var.mean_var_nequip_model:MeanVarNequipModel
nequip_model = physicsml.models.nequip.supervised.nequip_model:NequipModel
ssf_egnn_model = physicsml.models.egnn.ssf.ssf_egnn_model:SsfEGNNModel
ssf_mace_model = physicsml.models.mace.ssf.ssf_mace_model:SsfMACEModel
ssf_nequip_model = physicsml.models.nequip.ssf.ssf_nequip_model:SsfNequipModel
tensor_net_model = physicsml.models.tensor_net.supervised.tensor_net_model:TensorNetModel