mace/__init__.py,sha256=5VLBFrfSxlP5iwH1xP1ZmZfxn2aaMrxr8WOW3Z95Nls,102
mace/__version__.py,sha256=NHeiTwcT3XpezRu5hTYU1LuZ8iPpTS6pKD7SOQCfoQM,50
mace/py.typed,sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs,1
mace/calculators/__init__.py,sha256=CgODmQJjKp5mjjh7D5NcSq1uZh3rPW1coZxEJBCWM70,248
mace/calculators/foundations_models.py,sha256=ovf57kxqRz7r9O6HStMS8Yicr591mimq6lug-hmlZm8,19112
mace/calculators/lammps_mace.py,sha256=AU11-QhBLbVk4F4zd3vOcQHOrcUO0RhfZ84TJ_YEQHg,3675
mace/calculators/lammps_mliap_mace.py,sha256=xWL0tVPrBLYPbntNDM_rxJQMnYWqiyGwvZCm0BaaXWk,7784
mace/calculators/mace.py,sha256=qFd16g5YJRZfLCb9X4RslIrUeNl1uwqBkM-7yFW8DeQ,24102
mace/cli/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
mace/cli/active_learning_md.py,sha256=_xwZAzV_I76bA9NQ-upivAGJymVv4I5isTbPYPf1SqQ,5999
mace/cli/convert_cueq_e3nn.py,sha256=d-2fz32ydGK9WolbC0KBQfWFpqUhfRy5z9U-mCKcy1s,8541
mace/cli/convert_device.py,sha256=q4JPDnHhxVTKaTR9ArtQvNNrSWsdM9XlacfC6UalgTA,774
mace/cli/convert_e3nn_cueq.py,sha256=FVsJEynMPFPmoQ7H6gYCQywIaBDzkpqRGgVFSvlXbkU,8211
mace/cli/convert_e3nn_oeq.py,sha256=Zg5X1Rvs5MD0mGS7LVZcnbLlmySooKSEKhizyh-5luc,2426
mace/cli/convert_oeq_e3nn.py,sha256=xhKxkt_xwYHi7bi3mpmh-RndW-dSgbJOKf6tg9YF7fU,2190
mace/cli/create_lammps_model.py,sha256=JkNnFaO6TpXRWIGn5H2t4YZ1WVtcssXO9hRP74P4Q8k,3314
mace/cli/eval_configs.py,sha256=0SSA-ClagvxpBOAIi6DnKGxau614x-M_gnvPCMkCEds,11434
mace/cli/fine_tuning_select.py,sha256=CGJ9OU63Cce40SbmIzVQA10kzhdJLV2U_-I6LkmVlcA,19605
mace/cli/plot_train.py,sha256=jiZRsyhYCuzXIgmYooxXGFXlRcNc-qmDbpJMZFKr_zI,9583
mace/cli/preprocess_data.py,sha256=pyf-0LWjspoViyi75wMwdQKq12YsCCBgQs8D7A1lnPs,10050
mace/cli/run_train.py,sha256=QfqoItHuFVrsue128VjZr1t63DxvGxSy1d-PdZ6uEl0,49374
mace/cli/select_head.py,sha256=8yiCMBvNZoByN4xh1ETBQGXexfV0fejgsc5E5DXm8Uw,1702
mace/cli/visualise_train.py,sha256=vTKBzx_b6VGNQLRl1bEUuGFy8ylFjlS9W1VJypevYGY,29137
mace/data/__init__.py,sha256=hUyCadEK1nZyEf4dUC1bg_-U4SusERgA7rEPjdHdqWk,1087
mace/data/atomic_data.py,sha256=2olCFKB5sZs5x7ia0DEIeOMtTPv4HOIzsBZt6B1D8u0,15920
mace/data/hdf5_dataset.py,sha256=NGPlY3Jmo4dTQFk0VmeUezidcFeuNh5901IIcjgGujk,3324
mace/data/lmdb_dataset.py,sha256=6rEsevQYPrcH6vsSTHOczv-hTthYSriSyxSeczFIo7E,2512
mace/data/neighborhood.py,sha256=MQr2PAxbj18i3ZMRB97m6riy73n70-snyQHUXQHfsbQ,2370
mace/data/utils.py,sha256=jBV1favVqA5oI0rORrqzBWo2a3myp_JJG_qUZLisTxQ,22966
mace/modules/__init__.py,sha256=5873vqZI_2mBmlbsCfAwdUyYODKof_k2YQ-ciQ5aBuo,4007
mace/modules/blocks.py,sha256=Lh35ViL0UWgUIWwQaxTs9jqYrZ5ECz1b6w-KAgXx9xk,48163
mace/modules/embeddings.py,sha256=g99zCjoVZxu6C7J7oampdnOFV62T_m62AuA9JRBEciM,2469
mace/modules/extensions.py,sha256=nGHsERAY4ipONlV0W_tZeNrivS-4UrD3tZbuxWHO95U,10632
mace/modules/irreps_tools.py,sha256=fzUYUqxDrSfmIz9C8Fq_Nspn-FIvoPKDkNOBZc7sOrg,4207
mace/modules/lora.py,sha256=smtLqe4PPm7a8km9GvfADMcvDBz0hYp2pqgywqYW9yE,13911
mace/modules/loss.py,sha256=kk8O49D4jHzqZA1mPctAUwrWDgE82hZP5KCu0KY4XrE,23014
mace/modules/models.py,sha256=VMX5PXVvJpFsDsxlifQm5yXCg1Ish2zxNtYNg-cMMKo,56276
mace/modules/radial.py,sha256=h3UZKvrlZlHTMWtrAdGMXZddomgXApddTIIeg-3BJTE,12559
mace/modules/symmetric_contraction.py,sha256=KIj2q9QRk1iCAXwlIOwefUcpxXKzghd6GTX8bYdvGMI,10450
mace/modules/utils.py,sha256=W7ihftf60QPDPfSBS_UQjvfqoRE6lG77f4rth_Wj3lQ,21398
mace/modules/wrapper_ops.py,sha256=O1oR5EMhSPT_5sL4f69VMQaXaB7qd8f6owMtwOVw0ag,10660
mace/tools/__init__.py,sha256=PgHAA8vxtoYk_jTDFzEryi5UNXch_7HKYzMLm04A09c,1729
mace/tools/arg_parser.py,sha256=kB5Wg6wKUo02yYe-2cM71cnhEMZe1TnfHfJ1UE4oq40,34855
mace/tools/arg_parser_tools.py,sha256=33pfx9mYFkV4mM2wAaMMiyiS--7RIQF6b6O9JT7EA78,4897
mace/tools/cg.py,sha256=1clJe-7PHomPyumF5zzB3J6l__ps3GpsjDhQV23XQBU,9643
mace/tools/cg_cueq_tools.py,sha256=dAAQBBqQqrybfh74wZa4qi2GlgPa4U3niMdZ5hFw9SY,6380
mace/tools/checkpoint.py,sha256=gmQfU_Ii0jM_W9AjMj0rB3sinW_i5rrJhtJsX7sZ3AA,7394
mace/tools/compile.py,sha256=suwN834srHp-EG1cA9-fF1vz7jmrAtj5bMpXFcq6E78,2751
mace/tools/default_keys.py,sha256=oza6j5uvGPrk29z0AurmaLwieWSLSP3FPgr7CPCmZ5s,624
mace/tools/distributed_tools.py,sha256=FVVoCutmsFTAlAgWNUjWxXkEGa6-QpbBiL5JVNmF1gQ,2178
mace/tools/finetuning_utils.py,sha256=Ds1VGeHThLFOxmdPQ_Qab_r4EoYgBzLu-iEsg8i84zU,13801
mace/tools/model_script_utils.py,sha256=ilxCm2euGchSoxRgNKWIgfsZY6Tpf8y3lZ0CpSW_6zA,14454
mace/tools/multihead_tools.py,sha256=nS1cMgC7VuOf0Af7CSFM8aGpW4VZyjFhHUmByWLqLOo,17273
mace/tools/run_train_utils.py,sha256=iTjSRqaCQvCoA_pZh4hgpa-0LShfxFBERTJyOJNpoww,6828
mace/tools/scatter.py,sha256=On6asb8NoO51WOingzpMJ9A8dsMkYJ2BGVr2Iqtg_bQ,3260
mace/tools/scripts_utils.py,sha256=4vUlrGlJDeMfu9MJwYu6WMocOze-Le9UgS_6M6Eaqa8,41730
mace/tools/slurm_distributed.py,sha256=oNospiE_LDbcqunkNBFnUaiUtuHXNdNMCTeYK2lQHls,2201
mace/tools/tables_utils.py,sha256=1iosddzxDEzqSdK03EYBDbhATjKAUHE_lvH5Lcvs14Y,8453
mace/tools/torch_tools.py,sha256=P0MX9bpnIfkJLE15ddkDZK2XiUUsFXzoY_MQ1p9sT6Y,4779
mace/tools/train.py,sha256=h4CZjdTASiGm4sMhjHmOW0QEycLV9NAXGuj_L3NFMy0,29737
mace/tools/utils.py,sha256=UNIKOh_EX_Qh-pRXgeFiQ3Y0c7ebQTIy-XIadaY6Owo,6281
mace/tools/fairchem_dataset/__init__.py,sha256=_2oHV75xckQ-Nz0-E2TIbwA7oOGeRto7ScSlDUDg15k,73
mace/tools/fairchem_dataset/lmdb_dataset_tools.py,sha256=OQKZHUuoerpbmWMA-HQ4cx26BF5fUJuAP9BTLsCgKPg,35828
mace/tools/torch_geometric/__init__.py,sha256=RM0xFUly2XnxIIfCgSihQSV2a2WozTE460WfT2DKMTE,219
mace/tools/torch_geometric/batch.py,sha256=m0bh9IudbYnWxgpPKjBiWrYo9_NwA4owDYP1cIqcW48,9903
mace/tools/torch_geometric/data.py,sha256=OqdydStZ_c3maKUKWlY9hCSq01jm8Vufv_9gVf58bSE,16569
mace/tools/torch_geometric/dataloader.py,sha256=VynSC32RAbum5vubXX0r4nYSokc9CauyrnkpDoZrgSk,3102
mace/tools/torch_geometric/dataset.py,sha256=Wgfph7Mjcmnq5Mm1kaO6murtmyzHxego4d357AUY3QU,9957
mace/tools/torch_geometric/seed.py,sha256=NdPzhRDfAD-p122jnzQOGceJ1SJ8GTs_FANf4sNrK78,354
mace/tools/torch_geometric/utils.py,sha256=eyw_Upd3-vE0a8z77di43svKnwyFYXcsa-BjCp5vpyY,1313
mace_torch-0.3.15.dist-info/licenses/LICENSE.md,sha256=QhN3kPhUriudKaCnKk2j9vuaIdggs_J28jsFda9y6G4,607
scripts/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
scripts/eval_configs.py,sha256=6LKC2bPSONyBqL0lJDt-2Xuns97oFf8AG64HgwqhEqY,124
scripts/preprocess_data.py,sha256=fSjqQKbBsuFafD_VBWpi6zcHxSfhVX9_19Y7RU7C3wg,124
scripts/run_train.py,sha256=FGTw-9zNvEmaPhFCmbIBALPCfV2NgxeMd5axUud0Wvg,118
tests/__init__.py,sha256=kzcPDfUQhDEr9CIVshyqcssu0NKFnLh3AoLZONWiYKA,64
tests/conftest.py,sha256=yoLvD52NQYvS9bH6rLacQnsGHmIaZO4l_k7rfmE8hKY,804
tests/test_benchmark.py,sha256=zea8V1cT0ic-6MGUmm2H-fRq1A8pK-1h7R3uooIVQ9A,4076
tests/test_calculator.py,sha256=eAdpuFPnsgmaXfo0bxgPDG3B4Lv4pUlJy4AKj6U0YKg,27487
tests/test_cg.py,sha256=m-0h1ztEk7Ye4RBH4VnbZG1RFPjrR90cv0U26Cl4GXo,334
tests/test_compile.py,sha256=LBKJtQuTGX36jR6aCwavNfwKE96FNEhe0rgMaljQ9jA,6037
tests/test_cueq_oeq.py,sha256=fsdNMAfmlUu8kSOsjHhpT0i-BA-UCdewNVVZ_gxz-04,8168
tests/test_data.py,sha256=K9dm2akpYK1Nuk4TgsyFw1JVukoGRIQLOX8s6wiro4Y,7414
tests/test_embedding_train.py,sha256=gAfItBz4LdaUWTLcP2IZ-FR47MrHZX9YbLCTTAWMIJI,12765
tests/test_finetuning_pseudolabels.py,sha256=rM_wu6C7Z2IWLOvQNXf-YpgYaLFzalTFOYbpNBEVARM,6880
tests/test_finetuning_select.py,sha256=y23miHn9n00lxWcaOdYSLH3GRu1_Kla0ztroZ3qUBjg,5262
tests/test_foundations.py,sha256=y_5DSdstNch9uenrTPtJB25FDM7utQSoTkprI7Ozijw,32238
tests/test_freeze.py,sha256=52KLFHYUUnpzWOBwloHGThUCoL_2n4kTKKCxzfNB3G0,7350
tests/test_hessian.py,sha256=DmtGZUYMbxCcTF2qRSUZbgY6rrGzVQJvfHLFT8A31eg,1697
tests/test_lmdb_database.py,sha256=1Vr1TVjNinMJ-R6F48bGg_sVKs8kzWR0Hs0mrGfdjwU,5407
tests/test_lora.py,sha256=M-CioaMwHmQqhZfOda5oSs2SOtHpQvop3xqCC-ksO9Y,13162
tests/test_maceles.py,sha256=REJxlk7AAfX8O0GP-72oL4R6tF4OyyFACGog_cEVu08,12236
tests/test_mliap_exchange.py,sha256=-Rx86Cx5HxONq6hJFKDyBrZWURpML5bRryO06ho5hws,3932
tests/test_models.py,sha256=W41sA1Jl4O-pCOKxQ8s0M85mItR4jFkuokUROgKpHO8,14499
tests/test_modules.py,sha256=joy-2HFWu37xtS5cvNvaYfv9GH9lbXzc_VVQS_EPnVw,7611
tests/test_multifiles.py,sha256=cPkMRwdnvIcFqFNZsc-1hdkHgwTp2WGQaj_dnoiwojY,36921
tests/test_preprocess.py,sha256=Hp7kjS2STCHJZiaRHvSBtFG_r15Fi2daaCq6GughDwI,6703
tests/test_run_train.py,sha256=zjmhmwDbYpIrD22zBdxMLw7mLBq2vSfIumbmYESaPDo,64653
tests/test_run_train_allkeys.py,sha256=g555x0DmtIHHFuc7ZGXzkfjwNFO5vt19nWuaOvpnJXc,14145
tests/test_run_train_dipole_polar.py,sha256=CfbS9XL-RiQg8OBjjUSaUI0EklctTMgAmc2E3pJ_jf0,13980
tests/test_schedulefree.py,sha256=bbbfgCkBA0iFj3hnCk_eoTXE4U4oEIaoCbnklB_pQb4,3753
tests/test_tools.py,sha256=Cuqdy4dFb9strQZ9ORWrBCR-y09MykUIJCg8VeDZBOg,1415
mace_torch-0.3.15.dist-info/METADATA,sha256=gqwYiLDntze8eA1zyaon9lmtiBDyIgENwmn5CrMvwJ0,26437
mace_torch-0.3.15.dist-info/WHEEL,sha256=YCfwYGOYMi5Jhw2fU4yNgwErybb2IX5PEwBKV4ZbdBo,91
mace_torch-0.3.15.dist-info/entry_points.txt,sha256=_CyizfElynlEx0Uh1JOGL4NXpbxDcuiaMIkNxB8aPlI,574
mace_torch-0.3.15.dist-info/top_level.txt,sha256=JGN832c1H2vd07T9IYfp1xewZN7iA51-5mNlWMPZEks,19
mace_torch-0.3.15.dist-info/RECORD,,
