mace-torch

View on PyPIReverse Dependencies (6)

0.3.4 mace_torch-0.3.4-py3-none-any.whl

Wheel Details

Project: mace-torch
Version: 0.3.4
Filename: mace_torch-0.3.4-py3-none-any.whl
Download: [link]
Size: 87861
MD5: 5141c049e8a41148171011cb2a492c01
SHA256: ad88aede3d30d428126835f61fe6743b99c62f31e636eabd7b88319b736a0869
Uploaded: 2024-01-16 16:00:05 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: mace-torch
Version: 0.3.4
Home-Page: https://github.com/ACEsuit/mace
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Classifier: License :: OSI Approved :: MIT License
Requires-Python: >=3.7
Requires-Dist: torch (>=1.12)
Requires-Dist: e3nn (==0.4.4)
Requires-Dist: numpy
Requires-Dist: opt-einsum
Requires-Dist: ase
Requires-Dist: torch-ema
Requires-Dist: prettytable
Requires-Dist: matscipy
Requires-Dist: matplotlib
Requires-Dist: pandas
Requires-Dist: wandb; extra == "wandb"
Provides-Extra: wandb
Description-Content-Type: text/markdown
License-File: LICENSE.md
[Description omitted; length: 10752 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.42.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
mace/__init__.py sha256=V2hnOxXKcjMiusdGP8sOAR4QsBlWHQ0pZZMN2Cean6o 38
mace/__version__.py sha256=EVh84K2XkED4bsPB10qR4q6SCbIp-6LdYq5IuJweVoo 23
mace/calculators/__init__.py sha256=ni6x9el4NaZ0U6UoPlgyY2JasJVLEu-r9yFKYF42QA4 248
mace/calculators/foundations_models.py sha256=9tf4KENL1T_MxoCw08d0kJQNvHk2jL19dLoUFpEt_kc 10486
mace/calculators/lammps_mace.py sha256=onUB8iuhULgAM_dyFNKsyuNwErbGIOnydjs57aY4Pa0 3422
mace/calculators/mace.py sha256=LvgvZjoHRJzpRRzrDzalsep8OEGVblO6oEdJZJ25RkY 13918
mace/cli/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
mace/cli/active_learning_md.py sha256=mVRrvCNKJpTmjiROfGXnmNKAKhoIhFsnwq8xGAW99f8 6031
mace/cli/create_lammps_model.py sha256=8CKLSbdsKeApuriN9J1OixcMdebOMu-qJeJmPRMPRQA 528
mace/cli/eval_configs.py sha256=M2vsuUYRhRXofBAEqd_IaVTz2-yAUFydna80RsZemBY 4886
mace/cli/plot_train.py sha256=d-DWicaaF0Zo88aduPIN5Q4wctkDOUSM9RRoMDjzmKc 4794
mace/cli/run_train.py sha256=QhCbgHiJfQmwCeFa_LLg79X1oZJMQNAedb1suautvMU 21356
mace/data/__init__.py sha256=7tTLyNZ_zSyo5foDbg6KOkUG2tSGXTdIoFGjOkIgGoY 574
mace/data/atomic_data.py sha256=LBlSlvfPHUQnxNEKzDm7MhhtEsAWplsQH8Qea16WE-Y 8071
mace/data/neighborhood.py sha256=RY1M6KiRnAqSSxaCO8AzFJMOb8ZmI8-3V1SQ5nDkSFM 2373
mace/data/utils.py sha256=IpTOS1RX5DN8q2LkX8KhoQ13ujxJbzEC-ZrL2aZA00o 9113
mace/modules/__init__.py sha256=RYTz9lu5FLNzhiiorwHnAxiv0pKKsabPSZFOVxMDgfY 3224
mace/modules/blocks.py sha256=HBO_XTDyGEAAnFn049IoKb8FEivCVofwX0r8qsJK0tA 25692
mace/modules/irreps_tools.py sha256=jo_fTfq4VrXY7FSiKoR7pJi4YjgCBIdOr9zKY-cKNKw 3045
mace/modules/loss.py sha256=T144errC-75uAycwUVjAC6KVdIcODMHit2GezQ-Yabs 10102
mace/modules/models.py sha256=o671NpXC35GKYFSrvnGZXx0LkrMc3d8KNiAwP6MgK3M 38423
mace/modules/radial.py sha256=7UMyFFKyFQL-0ObZxpsEnFTf6rfEd8YBnHhhqlnGn2c 3814
mace/modules/symmetric_contraction.py sha256=sls04qa5W2-axGSNH-6LNeLkA8RL0CH7gXH6_LQBBPU 9374
mace/modules/utils.py sha256=cE_OhX5Yf_AWGT1r6K2wQK8H_mIPVlG_4xWHD8uPKUY 9306
mace/tools/__init__.py sha256=g0LjscQ7xPnb0_gEJlNJyWr08eeaJYU2epg4mKa2lNs 1525
mace/tools/arg_parser.py sha256=ugaCgQSquHzi1JFTkUbMxHcZ-rbhRrgkb3SRgu0HcjM 14934
mace/tools/cg.py sha256=4k47BcL4UI1u9wl-5c3b7vvwsd3888M1X8OTABwe9PY 4393
mace/tools/checkpoint.py sha256=rZdIb3lcsiZNLAkYHznagKZtP8lSHXWP92pqz-b5a8k 7620
mace/tools/scatter.py sha256=fOv0dwyNI0otqmBRpGKH4R3ESfL1hOK57Q9gjpzDsOY 3429
mace/tools/scripts_utils.py sha256=DNGzb--XCnda1yOpWKtItpsbACi5m4mRhjRSSt2-mkI 10882
mace/tools/torch_tools.py sha256=gF0uwuyrK9P0rUDXhSx2dBFu4mDY9mH5vYbDRY75CCI 4137
mace/tools/train.py sha256=1atJlO7cIeQ_5ld_9BL_c5CJrn3lid5Hg8RGXYL5beY 15674
mace/tools/utils.py sha256=eqmp31Ybln6R7jSqTHI4XsgVkVmAaJWCNn5vfqx3BsQ 4477
mace/tools/torch_geometric/__init__.py sha256=Gvcq1Tu_2fr0cJGRVE-7pY8LkeK0qZ0LH-h85LEuILs 172
mace/tools/torch_geometric/batch.py sha256=XnF44ZMQva4UR6gXa3XqhRRX0gbkwYIyZJAyi_P_qVE 10160
mace/tools/torch_geometric/data.py sha256=NdoFs2jV2jSHTmLCs2dI3JtATw9majX4SnEt9vkERG8 17010
mace/tools/torch_geometric/dataloader.py sha256=dC_CxmFBioSlqpiFiQ8D_pWM3makrfALnDb1t1DYmG0 3189
mace/tools/torch_geometric/dataset.py sha256=yZz59UWAC16IGOSDXCMLmBhA2Mbj2KvdoWNmZLvWMiw 10237
mace/tools/torch_geometric/utils.py sha256=i0RcU53glVaUJXAkDEHl4cwu-3xTBjQrPcUzfCgImXQ 1367
tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/test_calculator.py sha256=INKI5cnlnQvLqKnjyN6LMfF34vAMH1hZKk_f9lVMbgc 14656
tests/test_cg.py sha256=P_v9vjLwhsObLzKmKbt3HfCOXWwhLLNlcaYbPtdNr4k 327
tests/test_data.py sha256=s7F_yQYFIY0ymMURyVd_QTzgNXvhgfYSpKD4upMTWI8 5068
tests/test_models.py sha256=Ip_4vVaVtvUVLzEIfZquCFKQmfaGBW5ef9NJ_98Yd-Q 6208
tests/test_modules.py sha256=pYIwZDX87ftNxo2ZaZGf360m9ch_kRfsdgdCqAH8K5Y 3550
tests/test_run_train.py sha256=uVwwYMo1A4inuJ54YYJLQR3SpoFTMhCWd3jTT_LNpPY 7901
tests/test_tools.py sha256=N0dcN5ykkG_Loewgm2wE4k9TE7vzmiqzy7QPmoYU3CQ 1463
mace_torch-0.3.4.dist-info/LICENSE.md sha256=lTitflRFWgoWfN6rzkMcDUm735p8iBzsglLBs1CP5Dk 620
mace_torch-0.3.4.dist-info/METADATA sha256=mA99Q1pBsikE1lPi_3cknBdZf2b7LOfBUegfg47Vb6A 11674
mace_torch-0.3.4.dist-info/WHEEL sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM 92
mace_torch-0.3.4.dist-info/entry_points.txt sha256=gRfafeVUO9emysyfnIlqPRSFpfCWcaIznf1IfEWEiXE 269
mace_torch-0.3.4.dist-info/top_level.txt sha256=fr8wuDx0xbbSK3CjrgoyXdcJEfg9UbmF1Ees7QsD-U0 11
mace_torch-0.3.4.dist-info/RECORD

top_level.txt

mace
tests

entry_points.txt

mace_active_learning_md = mace.cli.active_learning_md:main
mace_create_lammps_model = mace.cli.create_lammps_model:main
mace_eval_configs = mace.cli.eval_configs:main
mace_plot_train = mace.cli.plot_train:main
mace_run_train = mace.cli.run_train:main