matgl

View on PyPIReverse Dependencies (12)

1.1.3 matgl-1.1.3-py3-none-any.whl

Wheel Details

Project: matgl
Version: 1.1.3
Filename: matgl-1.1.3-py3-none-any.whl
Download: [link]
Size: 223267
MD5: a6ee273865056aadd740f66b8c032c01
SHA256: edd966d8bc2fe3b78ea920aee80b33eeb4799bda4631068396c73490cf370ba9
Uploaded: 2024-08-07 12:39:57 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: matgl
Version: 1.1.3
Summary: MatGL is a framework for graph deep learning for materials science.
Author-Email: Tsz Wai Ko <t1ko[at]ucsd.edu>, Marcel Nassar <marcel.nassar[at]intel.com>, Ji Qi <j1qi[at]ucsd.edu>, Santiago Miret <santiago.miret[at]intel.com>, Eliott Liu <elliottliu17[at]gmail.com>, Bowen Deng <bowendeng[at]berkeley.edu>, Luis Barroso-Luque <lbluque[at]berkeley.edu>, Shyue Ping Ong <ongsp[at]ucsd.edu>
License: BSD-3-Clause
Keywords: materials,interatomic potential,force field,science,property prediction,AI,machine learning,graph,deep learning
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.9
Requires-Dist: ase
Requires-Dist: dgl (>=2.0.0)
Requires-Dist: pymatgen
Requires-Dist: lightning
Requires-Dist: torch
Requires-Dist: pydantic
Requires-Dist: torchdata (<0.8.0)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 15020 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (72.1.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
matgl/__init__.py sha256=Z4R2b2cg5BUIF6exVsCrciRBzlqNI80i_aibMWzOToA 1369
matgl/cli.py sha256=h5vD-fOHdmXM2q6LI9TbTx5BK1Hh6sYup74hbDfR7-w 6278
matgl/config.py sha256=5g5JeNa6D38SxE3Hpr-VwoddmovwfSqaj_YfF-HBgfM 1993
matgl/apps/__init__.py sha256=mOhEu3VGxTHV-NU6MfPBsdv161ZfcOWAu9Ec_IRXGzg 180
matgl/apps/pes.py sha256=AqwAdwcvQukk4yFOqBDFaCqC7wqP62BT9GTo_Gg3KY0 5689
matgl/data/__init__.py sha256=CTid1Fb0Y4hwF6doqO_E3iCsvAA8bgbRUpmRvTEpHAU 55
matgl/data/transformer.py sha256=HXw2o5fXzNBLGimfT-3lshh6mo3UVEF8de0BwwyvTi4 2543
matgl/ext/__init__.py sha256=6NlwrVtFYmU9p7iS6TLxuQ26ij9T-0zJvLeG_DAQV3c 118
matgl/ext/ase.py sha256=JAWwGjY7faj7hyO_I0BNBgEEcUxRJzl9umCk372L6dQ 22927
matgl/ext/pymatgen.py sha256=VbyehT_0VD83Q7M1Ns7wKy7iJyeNHnLyuH414me8wGA 4511
matgl/graph/__init__.py sha256=FpNG-2IrFgdOvpfxfI6x0jzaqJqNFkwumBk7IlK6CJ8 52
matgl/graph/compute.py sha256=F45m09qkJ_Lq24Y7pfY22OAfiJEXBlyuHVJx-fOwcss 14079
matgl/graph/converters.py sha256=TYkhWqLdDvlAqWiYCUYRiBc8HBh0zeiczB_F3Ru6qNI 2896
matgl/graph/data.py sha256=owYAeHAZr3qJtFsHV7uYaiwaFbD6dBHy3_L_wplfzoU 12015
matgl/layers/__init__.py sha256=Q8F_5C0iecY6nJF-WvkUtu4nNqY3tn-yIbjqvOj55YU 1174
matgl/layers/_activations.py sha256=dELM5ApNLzmmZ9Ua6oeI4sO6BJZDmGm_nuKshNNmzkI 2551
matgl/layers/_atom_ref.py sha256=nfM8vNwXEw0OEb8Q2I4dRc9VIYPCZUgxfnCTTsRYwEU 3438
matgl/layers/_basis.py sha256=WwTxoBQUzJ-LbK7D2o4Dd0E1EG-fMpLtac6UL81E96c 12919
matgl/layers/_bond.py sha256=D49yp3mJbiChpv690AS-4JJ5gCiQfBb6xuiCgC9yZjE 2312
matgl/layers/_core.py sha256=S1UKpHIsKQN4Nhy5M4Js57KebOrqnRw_EB9Uw2ard6I 16964
matgl/layers/_embedding.py sha256=MtLcasosD5j2XACUT1GbGnFJ_G4iOfnaKAfH9zU5YJM 15438
matgl/layers/_graph_convolution.py sha256=4dzmrgv9hi3lqvw5DRrzjsInvBBLnic_EE0-8jp-a5c 48909
matgl/layers/_norm.py sha256=mN_cuR-rnZC2A3V7A66XT8eupDDm67Zn9u5JVYk3FoY 2424
matgl/layers/_readout.py sha256=dxJAabSVE0h8Wb6Vpw6THONcGfS11tclmLj3giG1RQI 9393
matgl/layers/_so3.py sha256=Ot1ZW4CxFQIjz1lFeWJE8yR39JXAxsN4sYy2FzESkxg 12345
matgl/layers/_three_body.py sha256=l0Miuv_oSsdt93HzVPynKE4eiQ0nIjryEgQAVOiS6R0 4557
matgl/layers/_zbl.py sha256=QHoGMN0HmZE1EdEIfbj8rtsyj7ZlbM-oVQeYWqHcg6g 3240
matgl/models/__init__.py sha256=JMJHQlQgV5LrApiPcJ3ivDVPC55uzwwrNW-uZQ3QHhA 277
matgl/models/_chgnet.py sha256=XMy8_fGJ_ekAgMHn8u3C-XrnADK7yaU8gOYQinr_GwM 19150
matgl/models/_m3gnet.py sha256=MWHiHi5kAoBXdTKUkEJ5YJlpKyJcS1hyt3ixbEC1uBM 14309
matgl/models/_megnet.py sha256=CDse7ec3lbfPILGN5PtPbqAtz9pS_LJJhV_R0ocitjk 9159
matgl/models/_so3net.py sha256=tEEwx9pFcPciUny2leoSUdCaH6jdwlzZLB5EeW-_-F8 15517
matgl/models/_tensornet.py sha256=GzIuPeHXwWDRkrQF8ItH7PV8NMiDWU7LUICGJoV2ijo 11429
matgl/models/_wrappers.py sha256=5dTUETEFwj9u2ALncoNf2hvxjoyvenpVLTJxZL_d5II 2256
matgl/utils/__init__.py sha256=J8ncy9aY1_f9Ql-yEhTxCoZByOI_huCkuDCqvLcZG6Q 61
matgl/utils/cutoff.py sha256=GHOaJzvjTsyeODErsV4LVezeA_EL9p-qPl9IeAv494U 1372
matgl/utils/io.py sha256=ZLURf7bMlHHZGQhGtebKc4nxGY0Ud6Fgf6TIIaEgq-0 10619
matgl/utils/maths.py sha256=Lj8z5wqVp9L8i0eyV9qWwT7IazIEGFw3gl8PpDxcdLE 11989
matgl/utils/sb_roots.npy sha256=XXzNbrnPQxd5T1Q0TbIIb4nOQLGQttJR84hRKo1qMUc 131200
matgl/utils/so3.py sha256=elOR4mcm1UsP8ECO3PpS9fJ_3dMdgZggQfUKV7dXSEQ 4600
matgl/utils/training.py sha256=0y9ZbHuiWKz6i15HCDSoFMai1nx47UeTPVJIpUomtSw 19445
matgl-1.1.3.dist-info/LICENSE sha256=ofleCNfv6OkRrtBLiR1RuQukYpFYX0OTkTSAZnDuKjg 1529
matgl-1.1.3.dist-info/METADATA sha256=o_6nYRW6_JfALqKIaUjdqz2UWt5NMu0YmvJRhXVGcsQ 16498
matgl-1.1.3.dist-info/WHEEL sha256=R0nc6qTxuoLk7ShA2_Y-UWkN8ZdfDBG2B6Eqpz2WXbs 91
matgl-1.1.3.dist-info/entry_points.txt sha256=9l2fW_F9y01mSUVLTJkyHYLNsTccUalEM7HpiizmaNM 39
matgl-1.1.3.dist-info/top_level.txt sha256=LAnu4G_EwtanMUZwD-jOjS7hCogZIbNtJqX8WsCFw_Q 6
matgl-1.1.3.dist-info/RECORD

top_level.txt

matgl

entry_points.txt

mgl = matgl.cli:main