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chgnet

0.3.5	chgnet-0.3.5-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	chgnet-0.3.5-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	chgnet-0.3.5-cp39-cp39-win_amd64.whl
	chgnet-0.3.5-cp39-cp39-win32.whl
	chgnet-0.3.5-cp39-cp39-macosx_10_9_universal2.whl
	chgnet-0.3.5-cp39-cp39-musllinux_1_1_x86_64.whl
	chgnet-0.3.5-cp39-cp39-musllinux_1_1_i686.whl
	chgnet-0.3.5-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	chgnet-0.3.5-cp312-cp312-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	chgnet-0.3.5-cp312-cp312-win_amd64.whl
	chgnet-0.3.5-cp312-cp312-win32.whl
	chgnet-0.3.5-cp312-cp312-macosx_10_9_universal2.whl
	chgnet-0.3.5-cp312-cp312-musllinux_1_1_x86_64.whl
	chgnet-0.3.5-cp312-cp312-musllinux_1_1_i686.whl
	chgnet-0.3.5-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	chgnet-0.3.5-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	chgnet-0.3.5-cp311-cp311-win_amd64.whl
	chgnet-0.3.5-cp311-cp311-win32.whl
	chgnet-0.3.5-cp311-cp311-macosx_10_9_universal2.whl
	chgnet-0.3.5-cp311-cp311-musllinux_1_1_x86_64.whl
	chgnet-0.3.5-cp311-cp311-musllinux_1_1_i686.whl
	chgnet-0.3.5-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	chgnet-0.3.5-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	chgnet-0.3.5-cp310-cp310-win_amd64.whl
	chgnet-0.3.5-cp310-cp310-win32.whl
	chgnet-0.3.5-cp310-cp310-macosx_10_9_universal2.whl
	chgnet-0.3.5-cp310-cp310-musllinux_1_1_x86_64.whl
	chgnet-0.3.5-cp310-cp310-musllinux_1_1_i686.whl
0.2.2	chgnet-0.2.2-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	chgnet-0.2.2-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	chgnet-0.2.2-cp39-cp39-win_amd64.whl
	chgnet-0.2.2-cp39-cp39-win32.whl
	chgnet-0.2.2-cp39-cp39-macosx_10_9_universal2.whl
	chgnet-0.2.2-cp39-cp39-musllinux_1_1_x86_64.whl
	chgnet-0.2.2-cp39-cp39-musllinux_1_1_i686.whl
	chgnet-0.2.2-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	chgnet-0.2.2-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	chgnet-0.2.2-cp311-cp311-win_amd64.whl
	chgnet-0.2.2-cp311-cp311-win32.whl
	chgnet-0.2.2-cp311-cp311-macosx_10_9_universal2.whl
	chgnet-0.2.2-cp311-cp311-musllinux_1_1_x86_64.whl
	chgnet-0.2.2-cp311-cp311-musllinux_1_1_i686.whl
	chgnet-0.2.2-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
	chgnet-0.2.2-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
	chgnet-0.2.2-cp310-cp310-win_amd64.whl
	chgnet-0.2.2-cp310-cp310-win32.whl
	chgnet-0.2.2-cp310-cp310-macosx_10_9_universal2.whl
	chgnet-0.2.2-cp310-cp310-musllinux_1_1_x86_64.whl
	chgnet-0.2.2-cp310-cp310-musllinux_1_1_i686.whl

Wheel Details

Project:	chgnet
Version:	0.2.2
Filename:	chgnet-0.2.2-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Download:	[link]
Size:	4798337
MD5:	`6f7c8d50efd4597805851d2d223cef68`
SHA256:	`1eb6e8fb18ec74e53b96a5e9369f8aa0af1b16cc964499ec2c08e123d1d9a743`
Uploaded:	2023-10-12 16:56:01 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version:	2.1
Name:	chgnet
Version:	0.2.2
Summary:	Pretrained Universal Neural Network Potential for Charge-informed Atomistic Modeling
Author-Email:	Bowen Deng <bowendeng[at]berkeley.edu>
Project-Url:	Source, https://github.com/CederGroupHub/chgnet
Project-Url:	Package, https://pypi.org/project/chgnet
License:	Modified BSD
Classifier:	Intended Audience :: Science/Research
Classifier:	License :: OSI Approved :: MIT License
Classifier:	Operating System :: OS Independent
Classifier:	Programming Language :: Python :: 3.10
Classifier:	Programming Language :: Python :: 3.11
Classifier:	Programming Language :: Python :: 3.9
Classifier:	Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier:	Topic :: Scientific/Engineering :: Chemistry
Classifier:	Topic :: Scientific/Engineering :: Physics
Requires-Python:	>=3.9
Requires-Dist:	ase (>=3.22.0)
Requires-Dist:	cython (>=0.29.26)
Requires-Dist:	numpy (>=1.21.6)
Requires-Dist:	nvidia-ml-py3 (>=7.352.0)
Requires-Dist:	pymatgen
Requires-Dist:	torch (>=1.11.0)
Requires-Dist:	lazydocs; extra == "docs"
Requires-Dist:	crystal-toolkit; extra == "examples"
Requires-Dist:	pandas; extra == "examples"
Requires-Dist:	pytest; extra == "test"
Requires-Dist:	pytest-cov; extra == "test"
Provides-Extra:	docs
Provides-Extra:	examples
Provides-Extra:	test
Description-Content-Type:	text/markdown
License-File:	LICENSE

[Description omitted; length: 10958 characters]

WHEEL

Wheel-Version:	1.0
Generator:	bdist_wheel (0.41.2)
Root-Is-Purelib:	false
Tag:	cp39-cp39-manylinux_2_17_x86_64
Tag:	cp39-cp39-manylinux2014_x86_64

RECORD

Path	Digest	Size
chgnet-0.2.2.dist-info/LICENSE	sha256=oGeJomJEhaneWQPT1Mzu7GEno2BC3XNkmZ_5lFh6SkE	2519
chgnet-0.2.2.dist-info/top_level.txt	sha256=QolygoJ1bXsejpbvLLVfSK5sDsafP41Q8PUqUAkisYM	7
chgnet-0.2.2.dist-info/WHEEL	sha256=_BMdtp3IQ4NF7VFMKD4lD9Cik0H3WhEP1vtG22VwXhU	148
chgnet-0.2.2.dist-info/RECORD	—	—
chgnet-0.2.2.dist-info/METADATA	sha256=fFJSbGqQkqsH9PWZY_J5MPaFrm0aU-QrFWH3_Z053G8	12335
chgnet/__init__.py	sha256=z7RxrquS4TwR5gTbLCBZwC2Y7yCP__C_LzwproU9vPU	476
chgnet/data/dataset.py	sha256=iavXeWOulNjn-38mTaPEaV2GhxGGyt2whnzGIkJlSqc	31523
chgnet/data/__init__.py	sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU	0
chgnet/pretrained/e30f77s348m32.pth.tar	sha256=72JPeLbbnTFbTvJW8bsyB0SZJBkbkXINwX0_YMXfmA4	4639235
chgnet/model/layers.py	sha256=DgjWoz8jNcG-cruwexlWvJhdvBbpTJdAtAMTLBkcM6g	16898
chgnet/model/functions.py	sha256=DgmhmaC4AbQpMycM1TiuVLSYppeGv-yXD9ye-GMGZKk	7878
chgnet/model/encoders.py	sha256=hPIFXo_IB0bHLadlLEIcl1kblb_Ez2R29xeQGA-avsM	5430
chgnet/model/__init__.py	sha256=vLJXjJF71XUdkI3g_CDForIBrNqwBfczLBOysaFnaN0	243
chgnet/model/model.py	sha256=C2op015K1CsWcnkwxHeXDgcoNVuAYjgV-3jtoLvY4mA	33409
chgnet/model/basis.py	sha256=mu20ZVDnpsUwNqePcgKS-wrQBdcNJfyF6rG6LqzoMUA	6911
chgnet/model/dynamics.py	sha256=glDjFVjCU7cFCrWiML4sCPMtfh44V541B-5laCrbecY	32178
chgnet/model/composition_model.py	sha256=G7Z9OTmb49_Bhxy9fRuS0LP9VrbMNHdjZ83DtH6h38s	13510
chgnet/graph/cygraph.pyx	sha256=GfZf23GrthfyNCcPgk1Te5neehegKeVfGBCW5lKS9z8	5643
chgnet/graph/crystalgraph.py	sha256=vdH9-1OE9oGlglXRfXkwKRLBeDHWXFSAPZ-FWUPMw3I	7857
chgnet/graph/cygraph.cpython-39-x86_64-linux-gnu.so	sha256=qzE83zfw3NfnkyLn4r9NQDGq0Giw-FG1_DuiAfyp1gs	1625752
chgnet/graph/__init__.py	sha256=3wHR9P9-vgOgj050X5hYq2svxFTWytPhPqBwCwmEeLE	197
chgnet/graph/converter.py	sha256=RNP5StZRuwRa0eVPu1IkEEeWGXh981CykwU56jVkEZM	10908
chgnet/graph/graph.py	sha256=eoN-8ylil4WngWGPFfhA0pK2SI-LOdB7HyseybMZsik	14312
chgnet/utils/common_utils.py	sha256=5_uucJTH_R44l3hzFXLt3juKbElsgfnoSpMJs1XsKsI	2556
chgnet/utils/__init__.py	sha256=5SWElnsQzCBaEL_NwHPG_scu2N8GmnwQzwSJGU2BKJM	438
chgnet/utils/vasp_utils.py	sha256=KumYumcaHcyt-oq7L-sl_YLOdtOn3K1MBMBaI7xZrus	7279
chgnet/trainer/trainer.py	sha256=3MMqQWmYg02WgwQMYPO3UUsDNp3C22arO5uiIaLvbkA	28200
chgnet/trainer/__init__.py	sha256=VsMhb_RUllCd923h4kiUFvJJwGbWFBn4iHg1kkVkNUM	102

top_level.txt

chgnet