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mattersim

1.1.2	mattersim-1.1.2-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	mattersim-1.1.2-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	mattersim-1.1.2-cp39-cp39-musllinux_1_2_x86_64.whl
	mattersim-1.1.2-cp39-cp39-musllinux_1_2_i686.whl
	mattersim-1.1.2-cp39-cp39-macosx_11_0_arm64.whl
	mattersim-1.1.2-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	mattersim-1.1.2-cp313-cp313-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	mattersim-1.1.2-cp313-cp313-musllinux_1_2_x86_64.whl
	mattersim-1.1.2-cp313-cp313-musllinux_1_2_i686.whl
	mattersim-1.1.2-cp313-cp313-macosx_11_0_arm64.whl
	mattersim-1.1.2-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	mattersim-1.1.2-cp312-cp312-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	mattersim-1.1.2-cp312-cp312-musllinux_1_2_x86_64.whl
	mattersim-1.1.2-cp312-cp312-musllinux_1_2_i686.whl
	mattersim-1.1.2-cp312-cp312-macosx_11_0_arm64.whl
	mattersim-1.1.2-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	mattersim-1.1.2-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	mattersim-1.1.2-cp311-cp311-musllinux_1_2_x86_64.whl
	mattersim-1.1.2-cp311-cp311-musllinux_1_2_i686.whl
	mattersim-1.1.2-cp311-cp311-macosx_11_0_arm64.whl
	mattersim-1.1.2-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	mattersim-1.1.2-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	mattersim-1.1.2-cp310-cp310-musllinux_1_2_x86_64.whl
	mattersim-1.1.2-cp310-cp310-musllinux_1_2_i686.whl
	mattersim-1.1.2-cp310-cp310-macosx_11_0_arm64.whl

Wheel Details

Project:	mattersim
Version:	1.1.2
Filename:	mattersim-1.1.2-cp313-cp313-macosx_11_0_arm64.whl
Download:	[link]
Size:	304051
MD5:	`454b6091765b1c9e126e8e420733229f`
SHA256:	`a1b14a7beb7995188d886d83ff2ac51f0591905f4b81ea5d73166a829455ba27`
Uploaded:	2025-02-21 06:17:54 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version:	2.2
Name:	mattersim
Version:	1.1.2
Summary:	MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures.
Author-Email:	Han Yang <hanyang[at]microsoft.com>, Hongxia Hao <hongxiahao[at]microsoft.com>, Jielan Li <jielanli[at]microsoft.com>, Ziheng Lu <zihenglu[at]microsoft.com>
Project-Url:	Homepage, https://github.com/microsoft/mattersim
Project-Url:	Bug Tracker, https://github.com/microsoft/mattersim/issues
Classifier:	License :: OSI Approved :: MIT License
Classifier:	Operating System :: OS Independent
Classifier:	Programming Language :: Python :: 3
Requires-Python:	>=3.9
Requires-Dist:	ase (>=3.23.0)
Requires-Dist:	azure-identity
Requires-Dist:	azure-storage-blob
Requires-Dist:	scikit-learn
Requires-Dist:	deprecated
Requires-Dist:	e3nn (>=0.5.0)
Requires-Dist:	atomate2
Requires-Dist:	emmet-core (>=0.84); python_version >= "3.10"
Requires-Dist:	emmet-core (<0.84); python_version < "3.10"
Requires-Dist:	loguru
Requires-Dist:	mp-api
Requires-Dist:	numpy (<2)
Requires-Dist:	opt_einsum_fx
Requires-Dist:	pydantic (>=2.9.2)
Requires-Dist:	pymatgen
Requires-Dist:	seekpath
Requires-Dist:	phonopy
Requires-Dist:	torch-ema (>=0.3)
Requires-Dist:	torch (>=2.2.0)
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Requires-Dist:	torch_runstats (>=0.2.0)
Requires-Dist:	torchaudio (>=2.2.0)
Requires-Dist:	torchmetrics (>=0.10.0)
Requires-Dist:	torchvision (>=0.17.0)
Requires-Dist:	wandb
Requires-Dist:	ipykernel; extra == "dev"
Requires-Dist:	ipython; extra == "dev"
Requires-Dist:	pre-commit; extra == "dev"
Requires-Dist:	pytest; extra == "dev"
Requires-Dist:	pytest-cov; extra == "dev"
Requires-Dist:	pytest-testmon; extra == "dev"
Requires-Dist:	nbconvert; extra == "docs"
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Requires-Dist:	sphinx; extra == "docs"
Requires-Dist:	sphinx-autodoc-typehints; extra == "docs"
Requires-Dist:	sphinx-copybutton; extra == "docs"
Requires-Dist:	sphinx_book_theme; extra == "docs"
Provides-Extra:	dev
Provides-Extra:	docs
Description-Content-Type:	text/markdown
License-File:	LICENSE.txt

[Description omitted; length: 7698 characters]

WHEEL

Wheel-Version:	1.0
Generator:	setuptools (75.8.0)
Root-Is-Purelib:	false
Tag:	cp313-cp313-macosx_11_0_arm64

RECORD

Path	Digest	Size
mattersim/__init__.py	sha256=d6B-P3fP74Nvvq0CwB5x9370K-pupcAdDpSyVDu7jIw	75
mattersim/__version__.py	sha256=gJNMnZjaFpc49IcVLor78UH4fbbOgXtGfDppm_xNHmc	144
mattersim/forcefield/__init__.py	sha256=PiBBdTqAZcPTWW-54mFqCdtFCwTGBRR7Yuv0DIQCUJE	160
mattersim/forcefield/potential.py	sha256=0XeBkMmwWB2BKJp_9SbUe-J2tBqKGNpmT6m0hfxBIwo	50432
mattersim/forcefield/m3gnet/scaling.py	sha256=i4ipbLsSEcPbADE5RR01vLfnfKmk1WEVIxk0qWFGfDg	12444
mattersim/forcefield/m3gnet/m3gnet.py	sha256=vKkMFlAvzvKiXhZm63Yzq0We4NnvWhmH7cCXxx8JVX8	6474
mattersim/forcefield/m3gnet/modules/__init__.py	sha256=qmLUhWAsiqF919Z00a7zL-y1kBeR0TjFI1ISrOUQvEg	419
mattersim/forcefield/m3gnet/modules/angle_encoding.py	sha256=RhHNzhFpkAiNMgC5Zc4BE4VjgpFUiNfk9TtZy8qB9rQ	7937
mattersim/forcefield/m3gnet/modules/message_passing.py	sha256=A1oMt-hzaXcsOQOUkJ6s6NVKTW-BE2uVabS4nwJACuI	7404
mattersim/forcefield/m3gnet/modules/edge_encoding.py	sha256=7NSJlMhRe_8iS7bkNGaQ5rFpyQOd7-_glSYVHu9qMAo	5951
mattersim/forcefield/m3gnet/modules/layers.py	sha256=LT6a_gh7nipX43P_W1cG6q4J67Cx0zK38HEHLqwJjZw	4829
mattersim/training/finetune_mattersim.py	sha256=g8nKQJEmXTAgqkdgEKCQmmKmm72AIyQLBn7HRElxxwk	7844
mattersim/datasets/dataset.py	sha256=n_ZHhcPahpmquOtyussgNKxBEWY4xHZXbYjlsw7igMI	3469
mattersim/datasets/utils/build.py	sha256=VN_zo7sn_VDWFV87DzKw5ssozlI8WfORDZ6kcTZDWQg	12204
mattersim/datasets/utils/threebody_indices.cpython-313-darwin.so	sha256=HjukJqup2wz7Ga9AWfGS6wkFIFkRXeY6nejPK1JbVYo	206264
mattersim/datasets/utils/threebody_indices.pyx	sha256=6RZ1INNHAVL4rdlLF4JBSZVvZFgQWu5w5121Pvl8GLU	3073
mattersim/datasets/utils/setup.py	sha256=D27Q1WNoOf9r-uzPq8gRRjxBCLGzjKFPVczCx6WMmWA	339
mattersim/datasets/utils/threebody_indices.c	sha256=mz_bHRWhOIiEu-tm5Xka4FHs7OwcXH0Ui6MDDOiEyMM	1168201
mattersim/datasets/utils/convertor.py	sha256=RPzsX6T4xbk6RqmhDhHuhu9EAJ51rdgmUOsC0QIyshs	10451
mattersim/datasets/utils/regressor.py	sha256=PwFhQwtwJNI4FPAAPhtAPw1JdKY9gCLFI7z6671lJfU	6359
mattersim/jit_compile_tools/jit.py	sha256=BqrWYdfjhdgoyrH7_nCaBqQDg2GsGkK6dlgyaCaOe7k	10104
mattersim/jit_compile_tools/jit_compile.py	sha256=S4vEjsF6310484KCyc0qA2DuwZ3PB_2pb96xLk0jHY8	6548
mattersim/utils/phonon_utils.py	sha256=zLNo_3zSvkFqFAebmAhW0W6uK6DWeKVIMBbCVd7Tjkw	1310
mattersim/utils/mlflow_utils.py	sha256=PO46ua6yXtAJw2oiacOHhgU-uPo1ma0o7HuCfVwInak	3664
mattersim/utils/download_utils.py	sha256=KjditWDCyuj0m0TRkmbRQje9-v_bdvSHS5_Qo2r5pMU	1470
mattersim/utils/logger_utils.py	sha256=wzQccvGD-S--AMY_HA4ZT8C9Q-0RYg5Ltdga6n7aHn8	533
mattersim/utils/vasprun_to_xyz.py	sha256=7ZAU01Wsk0VDe05Qdbel-EF7geXgeoHiIY35R3aSEn0	2385
mattersim/utils/atoms_utils.py	sha256=hTqgMIkbAsuYt2lH2SfipH6NGoexKH76IFHhv0GAj4A	2615
mattersim/utils/supercell_utils.py	sha256=mDYxgc6psSPQIx6zc26uYN_Q93mdtp_NMvFTaOXPzZ0	8118
mattersim/cli/__init__.py	sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU	0
mattersim/cli/mattersim_app.py	sha256=Lpa50P2YOSkRbiW_YGw8ktW2Lv5HYmbG04oY-_F37P8	9577
mattersim/cli/applications/phonon.py	sha256=Zfa3IN4eduqNOnaEoOshK7sgaW1BXkROZ2Xyd0I5q98	5109
mattersim/cli/applications/__init__.py	sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU	0
mattersim/cli/applications/relax.py	sha256=rHrNyTa0-4bwmaNv4srwgbmtSzhO5Bw0K_WIuVc8YJQ	3470
mattersim/cli/applications/singlepoint.py	sha256=JujLAoEVO5DvJ3kpjpHtn7C9dL29863uros6RZkg_Kc	1506
mattersim/cli/applications/moldyn.py	sha256=mAjJbvg5Oa7Y6nWsy5N_uETpThHJxUi-IGhpwvLKHTI	3921
mattersim/applications/phonon.py	sha256=GJ_auu42TOIbwUkvsEXvigFSdQTjR51vhh9tPNof0Jk	8591
mattersim/applications/batch_relax.py	sha256=7YSvQxAgb_55CmSuH7V-3Ut89mS7QNBiYIWLhF1LeUQ	6374
mattersim/applications/relax.py	sha256=FGmmpoqcCZlAs4v85-bbKpHmyEylCtZcx0Roau2u5j0	6196
mattersim/applications/moldyn.py	sha256=QHWXfebn0woaOAxEDdzPMmvfsvTjokunTpVDJIYSR2g	5055
mattersim-1.1.2.dist-info/RECORD	—	—
mattersim-1.1.2.dist-info/WHEEL	sha256=zEwrEM3mH_qOUQ9uk3aZI5DMOaUao9_e1G94mKtHrTY	109
mattersim-1.1.2.dist-info/top_level.txt	sha256=VwAyH6rxY-o4d0hHjvTeOqctjXlKcigh-8mqtsdXkZI	10
mattersim-1.1.2.dist-info/LICENSE.txt	sha256=_VMkgdgo4ToLE8y1mOAjOKNhd0BnWoYu5r3BVBto6T0	1073
mattersim-1.1.2.dist-info/METADATA	sha256=bqnrwWlaMtVun0uclbyYIkHFQNLJlpRobEFioqX0-pY	9759

top_level.txt

mattersim