ppmat/__init__.py,sha256=0VXh9f9Y43qVqj8F-9e5kIREkpgTc7U456Qm56M63sA,1422
ppmat/_version.py,sha256=UoNvMtd4wCG76RwoSpNCUtaFyTwakGcZolfjXzNVSMY,511
ppmat/calculator/ase.py,sha256=7aKTKkxwDFPXtMUbIqVNlNJPLrW6xNgY0UFkqQAL8vg,15417
ppmat/datasets/__init__.py,sha256=CE1kROlN2k1UFkBbxU8Jdu4pvm3p7gEGO_PD3aZPXH8,12600
ppmat/datasets/build_matched_name.py,sha256=LwkUnMR_mJKFKTSgA1Af30Q-A01LE_zqkRQevT36F7g,12382
ppmat/datasets/build_molecule.py,sha256=gNGBA1IUkhappHONG0SyfDu8rlIbeq0kOd4vb4awtO4,6091
ppmat/datasets/build_spectrum.py,sha256=u8hmzYbuL8hwbczqBsRmGQbWDuS6BfDBrwz4Jj44zns,8895
ppmat/datasets/build_structure.py,sha256=BuwYTcIGUyxvuYJVHCvxeyTczjVzJuQpa-E17x90jf4,5479
ppmat/datasets/collate_fn.py,sha256=SXLeKCD0pRDdgseCPEAHieW7PTsKr36CgU6dUhUk3b0,14130
ppmat/datasets/custom_data_type.py,sha256=zh_rojO03_6Zv29nDh1I0msdAGwcubfXzj1NAYHJ1KM,1408
ppmat/datasets/density_dataset.py,sha256=BP9hN-bQW4Sj9QYHl0LW0fC16mrVNH4b9jl1K5zdsUU,24944
ppmat/datasets/high_level_water_dataset.py,sha256=295RQEAog6zKULa1Pn6tDpvHJApyMKBiDzWnITXkNPI,16997
ppmat/datasets/jarvis_dataset.py,sha256=7GyoOdPKUFXfGK6xEMM-py0p-16ajnPnBjKSkzy44c4,46440
ppmat/datasets/matbench_dataset.py,sha256=R7of3pxyyfY6aXQn2cwoPHnMK2fYDnAMIXyDjW1SaGk,21544
ppmat/datasets/md17_dataset.py,sha256=F2Mqk3950W0uq3KemgX0ZDi9_ItyAxq-514LktlNBZI,13252
ppmat/datasets/mp2018_dataset.py,sha256=wpdAv7MjUTThse63iFmlnjsCbSeYnR62fVhnen5MckU,18434
ppmat/datasets/mp2024_dataset.py,sha256=pvm6621mXBG5fSwIBgplbzXEbRBVxteZJmyolrbSop8,30640
ppmat/datasets/mp20_dataset.py,sha256=Ew4vgXohXuFZMAM25aME8yP6l6-uMrn1p3EP-nYqZP8,19367
ppmat/datasets/mptrj_dataset.py,sha256=2QvFKtMsDI7ZW78V9AJM8B1z3o5gH5LXuvXMgosGQL4,20452
ppmat/datasets/msd_nmr_dataset.py,sha256=YcR_3nBKdMlhXtzJYB-qPvEnHQQXQkvfFotJiiNIu6Q,64991
ppmat/datasets/num_atom_crystal_dataset.py,sha256=ioLeRwsRm6V2n-cMbK0O8ZBvXmMs3x16hLMIvs5WaH4,3142
ppmat/datasets/num_atom_dists.py,sha256=y_ZcC3A-OQtVlmvcqAJleE6gl5i_Ex5awiuOdOcVUqA,2670
ppmat/datasets/oc20_s2ef_dataset.py,sha256=4JbTOrFnAcE2Ih3No3L-xhbpMvY0pzSnNqMRSczWl1U,37227
ppmat/datasets/omol25_dataset.py,sha256=OxDLmXjGxupB5_FRgg6c6iEyVrErExW4tvroCbU5Wsw,30527
ppmat/datasets/qm9_dataset.py,sha256=-olKkrKb4iFOKyEOSzcwg7sHHDjLKd6MEzp8aZkhpfs,17510
ppmat/datasets/script_split_qm9.py,sha256=CvSi3GDXUTNx_bzEGTPHNDaZ84CwSTVetjKSVyMkedY,2994
ppmat/datasets/sfin_dataset.py,sha256=REm_BSmSmy1Zmsa3nVedcynIvW14P75ZTGo48zlndJA,17413
ppmat/datasets/small_density_dataset.py,sha256=n9yxA9eSgTrF49nuk21cjHRBjCS4xXngdN_SXBaXK2E,12196
ppmat/datasets/split_mptrj_data.py,sha256=B17UOAPgu1Mp2MlcRqdp45FVcZXQ-6CAbjZFqE3SUeQ,2921
ppmat/datasets/tmqm_dataset.py,sha256=M1oudqNmGfmYaUaM-8l3fUhzK5IS0KxTYSXLPq5XmQs,40928
ppmat/datasets/geometric_data_type/__init__.py,sha256=2SQwJBkDAJfX6gI0LOtjGDa9mKtA5pTKeNoR8f4apQM,800
ppmat/datasets/geometric_data_type/batch.py,sha256=zWO8DsicDAmLq0Wr0CuQ-gbF3kYjZuI1rao1ydl9P_o,9939
ppmat/datasets/geometric_data_type/data.py,sha256=d9XKTz_d8zCu-G9WQE3rEmezf6JMNQdB7gmnGOBplkE,16462
ppmat/datasets/geometric_data_type/dataset.py,sha256=R1ykgN8hlFmc4kf84sy99WD4cb1R3gKGS8cHljgONSU,10430
ppmat/datasets/geometric_data_type/utils_geo_data.py,sha256=K1ejxFExUZBsOdhh4cfK1PbnH_nkcH7mHSXcq7rKUB4,1948
ppmat/datasets/graph_utils/chgnet_graph_utils.py,sha256=ZHJE_wyzop3686tet4TAAq9ZIe2rK-UYuAOZ6agp76M,13259
ppmat/datasets/graph_utils/comformer_graph_utils.py,sha256=Aen4hBBMb-CrzzvwNhI0-EGUJtU_Agn9noo6FuL0So4,8085
ppmat/datasets/graph_utils/infgcn_graph_utils.py,sha256=0Jyk0VpnYTYQXmqzGQBROoJx5jMS22LdtvofGg1OTvo,15680
ppmat/datasets/graph_utils/spherenet_graph_utils.py,sha256=TnGmQeaem3qHbxe4GovfXL6q0_lujFjqUI7uCz5qPsA,2394
ppmat/datasets/transform/__init__.py,sha256=MkBUJg9HjpAF89nKwCz6762IIMxZ4ZLvyIJuQ6q2pC4,3153
ppmat/datasets/transform/dataset.py,sha256=gYd7t-AOeGCU3uMEIqaxsnqaLSwyrEsqT54ZHPpKVGI,2663
ppmat/datasets/transform/post_process.py,sha256=Dc35Pc1l-xG03UJ4L15-S8OWX7kiGX8QXSeE3f0BYOQ,3324
ppmat/datasets/transform/preprocess.py,sha256=SNbICRo5JeluiV00nB1eSNe5lupA9NI9zM49tz-ACNk,5893
ppmat/losses/__init__.py,sha256=bWsimFm101nqxii4qV2oumkvlMShTnZ4e34ZO9KPsyE,1573
ppmat/losses/diffnmr_loss.py,sha256=ik932XweM7f6MMhXerzrEqzAx1Uinf95LkMH_QG4pHM,3865
ppmat/losses/l1_loss.py,sha256=VSQcNHIuG3S3EssyhrbStNr9n1LcRQIHK2zscvFsrlY,2009
ppmat/losses/loss_warper.py,sha256=t1xQckI6Nu_wct_C_x6kToWfW3zYkRkfc3Ml_KscT7I,1383
ppmat/losses/mse_loss.py,sha256=Ha-MeUxuaJJgvZTXV4s8gv8l37HNFlfkXDwK8nMBLz8,1274
ppmat/metrics/__init__.py,sha256=fFmGC5m-qmTtlX8b2a0cXxGm4itoU_Ix0QlPbiwuzfQ,2170
ppmat/metrics/csp_metric.py,sha256=1QreXgfPJmWUpl8F1RYGmLj56CGwuQquBxFXJMxAbfs,3361
ppmat/metrics/diffnmr_metric.py,sha256=DArauFKAHFC3CxagoaQ_vj2tAR-SOgJVoKkpEBiNDrk,29795
ppmat/metrics/diffnmr_streaming_adapter.py,sha256=Kb-wsULf6qPinkIvR1Q1JtUgQi1BhlZRNShR3NyQURk,12514
ppmat/metrics/sfin_metric.py,sha256=qGIuP6B0xOQ6EpTpqYKBJr9sEdZ5DMhMcexktQi1xEo,8063
ppmat/metrics/streaming_base.py,sha256=3Vdx3-39AbcFUBFr04LsB6QyBCaICetoC9wQ-C9IK0k,2229
ppmat/metrics/utils.py,sha256=P4xyTp_LidYt-EWhQbh0uP1BMSV-1gpm81XWXO6Bk0g,7545
ppmat/models/__init__.py,sha256=eNfyLir60_bfR0moqoyhmZ_Zb3T5lM0rR5JTLm6-Yb4,16670
ppmat/models/chgnet/chgnet.py,sha256=Tzoe8vrtJIZiXJqgO-BFHBxXZeG3kfAH276aSFHmiVU,67852
ppmat/models/chgnet/chgnet_graph_converter.py,sha256=13pEv8M9d-42Y2cdYj2l-gMzkW2QOGWh3Yz6ddnuN98,21750
ppmat/models/chgnet/prefitted_weights.py,sha256=hQ3Pv-RTcIECN6bjwHxdDK43i6QiElh0uUkeOasEnxo,3096
ppmat/models/comformer/comformer.py,sha256=66RREk1w-nW9D-D3Z6JltpFWCnIBv3yNeTTqpkvMUik,19413
ppmat/models/comformer/comformer_graph_converter.py,sha256=JGYKFWV9m4IXK4I4MAgDwvVGQ6VEIbvD-rpVnIGzpxA,14433
ppmat/models/common/activation.py,sha256=4tiNyyeoeU8n6MBKfbJ4yHdfsIPy5BmUPY7jVyWrhJ0,4399
ppmat/models/common/basis_utils.py,sha256=phtvk9fWQPFXYZoCC-j_3ju4eoWxRFJf8YKn_C6o8_k,10035
ppmat/models/common/graph_converter.py,sha256=rPIvo-UTGcSXxnju6svudPeHp-jv3NfjlZEWiLgUqGs,34747
ppmat/models/common/initializer.py,sha256=gz6_krBp5_FkoCLMxjPlQhzUMCuDs3DBLgH5JgktFXI,16471
ppmat/models/common/orbital.py,sha256=XNhW_9yxi0Nv7adOlOh2jBdxCcYQ0-UPmDua6Wa40Xc,5492
ppmat/models/common/radial_basis.py,sha256=36d7fB5pmnMKVwRfvpvq_9nkccZjQdRh52iftgfULIg,7170
ppmat/models/common/sinusoidal_embedding.py,sha256=3FwTTal8XTtJnaDIsJvQUSZDQz68p2pVpNwJO5IPVCI,861
ppmat/models/common/spherical_basis.py,sha256=y1Vkeb9W0oGWU3M81bAQ3tN0WZwS6bZ_eYpDlVGlK9k,3425
ppmat/models/common/spherical_fourier_bessel.py,sha256=4dxcZXWaYjK8A44n1q14SZlG_kwj0xvyCzEr9B0qFO0,13059
ppmat/models/common/time_embedding.py,sha256=3cSo38dgjw-SjA5D4iM6Na4S_vA-yRBohmhx-Zc0cPY,2419
ppmat/models/common/e3nn/__init__.py,sha256=Cthedtwg3D1y90pjdoE9V6ndv0lZVXCTw9zMX1ieexk,1365
ppmat/models/common/e3nn/paddle_utils.py,sha256=zlECsZbXuMheVfAXIJaZ-3pNFn-x4OpdtKeK6uVekyE,4931
ppmat/models/common/e3nn/io/__init__.py,sha256=4RTAU45O8NdvuIacQCAnjT3sbMjSpAvKP9m4lP6p5TA,751
ppmat/models/common/e3nn/io/_cartesian_tensor.py,sha256=bkS0khIZaTfZJ1a8IDhaj_jooVgaTH8Z4yJRiZfm3WU,4056
ppmat/models/common/e3nn/io/_spherical_tensor.py,sha256=psaf6HHSWrPsrvRZU-bVrIiWp27tPESw8Tvnj7oARMQ,13515
ppmat/models/common/e3nn/math/__init__.py,sha256=XUiQo3AjsyrDKTIjqGJ_8vNyBFRMYDuIoNE50h5EkzQ,1200
ppmat/models/common/e3nn/math/_linalg.py,sha256=IbLRBHWY3N9g1vvDoPx5XaPTfeePfNEDxZbNv9CjFtg,3296
ppmat/models/common/e3nn/math/_normalize_activation.py,sha256=xLOmaIOsOKvkqcK3VVwEUxP0WwyRtHE0PwtC30A-bu4,1977
ppmat/models/common/e3nn/math/_reduce.py,sha256=XL6EdHuRJQjUdbmnmoPXdCjthSlq0bdqhDizEU1ipKw,3352
ppmat/models/common/e3nn/math/_soft_one_hot_linspace.py,sha256=HvrhuiDobisjXpFyeuNChl_DVBVTsQl9SAFGqtYMEeg,5399
ppmat/models/common/e3nn/math/_soft_unit_step.py,sha256=K_qwDW5JgXjgttfNvCtPXkjfE2r3E6r9ny0KYKZUbDY,1729
ppmat/models/common/e3nn/math/perm.py,sha256=by05t0H13Jashs8YPDd4YeQmY2Tc8bO_OOgE_3JxdNs,3788
ppmat/models/common/e3nn/nn/__init__.py,sha256=CmLKyeW1_RLPjtK0kyRVjH4b7pFYsWgkS4t4MQmX-i4,1179
ppmat/models/common/e3nn/nn/_activation.py,sha256=HSfvXFM7v3tLL-8XKlWgIHGOiJxv5AAil7hlea9y0cc,4258
ppmat/models/common/e3nn/nn/_batchnorm.py,sha256=FMANCprfPDFNo_EC8DACE1oD9t2t8P0CtD_5LA79_80,7319
ppmat/models/common/e3nn/nn/_dropout.py,sha256=iTQNntIzLUpMXdg9r_KXNoJFCQdig3dZKa91jsgBJUE,2865
ppmat/models/common/e3nn/nn/_extract.py,sha256=wU5K_yvmD-plP0wPRX_JhDLMK9R3wrHRu-7cLHWfHUg,3687
ppmat/models/common/e3nn/nn/_fc.py,sha256=xLat_pTC4U-haO8YVUFgSf6eC_5AHuvJFFB98col0WQ,3002
ppmat/models/common/e3nn/nn/_gate.py,sha256=nVuaiAdboft9gDCdHus-LdMpQDAZtv6Ji8bax1v2BIU,6097
ppmat/models/common/e3nn/nn/_identity.py,sha256=eZBG_tY_NWXvgTvxIEt7dlMLNh_8INN8WywCWxLlBY4,1465
ppmat/models/common/e3nn/nn/_normact.py,sha256=URy1PIxD6unsF9sA9QbTnuiCnk2WuH50qtc4lZmnv2w,4149
ppmat/models/common/e3nn/nn/_s2act.py,sha256=1aBHDg1rj6lhsTx2p9vs_Hx7VbhvyOmDlyzzCWWlheo,4658
ppmat/models/common/e3nn/nn/_so3act.py,sha256=Y07SE1AyvvzYAVsRITSMcBHNWudtFa9AaPL79cwwMmU,2242
ppmat/models/common/e3nn/o3/__init__.py,sha256=IMlYYKGurVHV5AtPVtFPyzhK5EDZhUsOXyDbeynPIF0,4305
ppmat/models/common/e3nn/o3/_angular_spherical_harmonics.py,sha256=trdVyaq8zWY-ZuC58Tzn9dqUUh1s0ja-oU_zOPSR-8s,6477
ppmat/models/common/e3nn/o3/_irreps.py,sha256=Lo3cn-EluL0LyA_cU98UidLyHy86Wdmei5PqM3OmclU,20435
ppmat/models/common/e3nn/o3/_linear.py,sha256=TVgoM8Hd3aYfRJIwhpK7EWEn3Po1ksZ_R0XFwWANhns,13134
ppmat/models/common/e3nn/o3/_norm.py,sha256=3NtjLpF25ArniT-iSdeladSdPsXfW8NFe36OEHg5CXQ,2310
ppmat/models/common/e3nn/o3/_reduce.py,sha256=sTph-XFNIUpGScXkDAaanoAIu-BhcKRWLPB0MABkSaw,9655
ppmat/models/common/e3nn/o3/_rotation.py,sha256=0ggSzfe2o4nkJbKSsQY4XdikI4UWe7yxMH-DVQZZV2U,18701
ppmat/models/common/e3nn/o3/_s2grid.py,sha256=yePMhoHOwJz4ECyARhZ2HJk-EGoI9SlaYkDBaDouup0,16624
ppmat/models/common/e3nn/o3/_so3grid.py,sha256=BNhE_YjTRMRPgA2cO6lqWYERzuKz4PFY-cvd0oDXmPM,3188
ppmat/models/common/e3nn/o3/_spherical_harmonics.py,sha256=WIGDPDpBkTs2ACRjdSXSezK3er5K9CwbP_uA9z7N6lY,63641
ppmat/models/common/e3nn/o3/_wigner.py,sha256=KMDj65bb-5guRHfNNSEbiVlbrtPITJTRJO3w634lR8M,8417
ppmat/models/common/e3nn/o3/_tensor_product/__init__.py,sha256=xbHSEIgQAZJvOEHFhQxP97b2c2E-QKXAFPSnl_ehpPM,1012
ppmat/models/common/e3nn/o3/_tensor_product/_codegen.py,sha256=crN-fM8qLtLO2_Hue2S90cyIDdYiugZHnOL66ySvTh4,34602
ppmat/models/common/e3nn/o3/_tensor_product/_instruction.py,sha256=l8eDsGZXFurI1oPgtQ4ACEk_uBpE5iU7dhoNrMLvAJo,807
ppmat/models/common/e3nn/o3/_tensor_product/_sub.py,sha256=NWNd4CkUzVVmePDrsnIwE66BM2sWWP4ESWhyC7_NI6A,14993
ppmat/models/common/e3nn/o3/_tensor_product/_tensor_product.py,sha256=1m96bohizYHYdsZwvbtng4fyRh94_HSBvlw2whJl44I,22745
ppmat/models/common/e3nn/o3/irrep/__init__.py,sha256=ka0Ip60R84NOaDuMGWIk7iXfAYLu2_TvYIYYnbo6ziM,1551
ppmat/models/common/e3nn/util/__init__.py,sha256=c8VSdfP4yUG4GnTaldeIGdQpJV6J7KuudsEkoQBL-ZM,1011
ppmat/models/common/e3nn/util/_argtools.py,sha256=c8VSdfP4yUG4GnTaldeIGdQpJV6J7KuudsEkoQBL-ZM,1011
ppmat/models/common/e3nn/util/_context.py,sha256=n2epGxtgE1P0ksTbM6_aruPKDpR5-FWKSOBIWQCySe0,608
ppmat/models/common/e3nn/util/default_type.py,sha256=nmDvBQ_T3moj_0RX28KSSYH3fRo2QXE9734RKrhlPlI,1485
ppmat/models/common/e3nn/util/jit.py,sha256=Va-lNoaCDIR7BD8NIbxs_Ie9AhiTtvpFHU8-1HcWeRI,1662
ppmat/models/common/e3nn/util/paddle_utils.py,sha256=zlECsZbXuMheVfAXIJaZ-3pNFn-x4OpdtKeK6uVekyE,4931
ppmat/models/common/e3nn/util/codegen/__init__.py,sha256=7VkjUsC5jJGjXmci9hsZAbUs6n-lHHUhI_R3QOZnldU,669
ppmat/models/common/e3nn/util/codegen/_mixin.py,sha256=-UdCXHPUGMb-MJpPYCSBr5qneIZZz2_B6WdsUbCAB98,1328
ppmat/models/common/message_passing/inspector.py,sha256=Wr4JOvaU08L8x0VMiH5dyToCd9QA3ktRkQM8X5Q5G4I,3278
ppmat/models/common/message_passing/message_passing.py,sha256=qVvLqcRoAq7zEqAc9tQQoXgZWPRuyMS9drmbrAHBnm0,18558
ppmat/models/common/message_passing/typing.py,sha256=GrIXd4zPv0vvIvBsYfwHi-lzAYCZR9CqMUhPWvusK8s,3530
ppmat/models/diffcsp/diffcsp.py,sha256=5lT68aWOEnnRPUEx_e_eW3yecikg52oJN_gL1EUmFNU,19338
ppmat/models/diffnmr/diffnmr.py,sha256=No3ECc79s5kwUNDVZUQFGebnG6a2fC1p_lkTMuRsbIA,48478
ppmat/models/diffnmr/diffusion_prior.py,sha256=PmvbE5PU7DHrs2Wx7Wvb52WVw_KWX8a1iyXpemHXJfI,19338
ppmat/models/diffnmr/extra_features_graph.py,sha256=6nyB_qoYQQM29lfn30C1JV2HGOvWpRZ1Cgu2x-_xnSY,19168
ppmat/models/diffnmr/extra_features_molecular_graph.py,sha256=IZjd5netTFz2KF7ETeYY0pKePZIaXdXwmP5r6P7DVyA,5355
ppmat/models/diffnmr/graph_transformer.py,sha256=Ra7FoHMU_-AVmWSU5j6pE0WtLEK_A2a73cUeo4fvoMk,18446
ppmat/models/diffnmr/nmr_encoder.py,sha256=n9WRTrMu6beiTG_jkHeg3EWj8w2vwvlSoNK0EeI46iQ,19722
ppmat/models/diffnmr/utils/diffgraphformer_utils.py,sha256=nyJ4ju25sVuq01rV1GU7rNVMrkiGcgzqvBXzJKs5U-0,10172
ppmat/models/diffnmr/utils/diffprior_utils.py,sha256=-U-TPevd22IYSYbBy_CKFbEiO9AmW6pQOnXqsx7iGPQ,1415
ppmat/models/dimenetpp/dimenetpp.py,sha256=X_0HJp-Dzrx9TR4wUfChMz54iSLmMOMxv-r4r8o8aIM,19849
ppmat/models/infgcn/infgcn.py,sha256=Bs0B9wRSZgzhWqsqKjRjLy0VW7VWgR4hCKFqEhKBpLc,17731
ppmat/models/mateno/mateno.py,sha256=6OPBRBWPfZB3fdB_aoqbonRb9jn2dEvsRoGkxnXBEbk,17024
ppmat/models/mattergen/gemnet-dT.json,sha256=Z0scHjbI5EWZlTkZQDD6xTw3N6IQeVxqDDERxVn85BU,889
ppmat/models/mattergen/globals.py,sha256=wFw4RcB2eLZj5eQiBzV-rEDikZkeO6-ldc_36eieaa4,1344
ppmat/models/mattergen/mattergen.py,sha256=EExANwO3tFxTdlUnIgU0JmWCca1cpRvTS74jh0TD0sc,110585
ppmat/models/mattergen/property_embeddings.py,sha256=NL7z44kMNDPnhfl0nsYiF2-o6V--XkFbKXDAlZQcusw,23115
ppmat/models/mattersim/m3gnet.py,sha256=Eux_OelzJOu_vMclqkdoKbn7tgcMYE67wmd74SASTH8,50771
ppmat/models/mattersim/m3gnet_graph_converter.py,sha256=0XsuHsXlcAGa5S3aVnyThLVTaM3NG_Ouu9CWQxjn9oU,12726
ppmat/models/mattersim/threebody_indices.cpython-310-x86_64-linux-gnu.so,sha256=J12yGQPU3qW956T7dUxtWmpNSNBCkfOqJmQLcfh8whs,1514936
ppmat/models/megnet/megnet.py,sha256=Jw6Bro4vMxyu9xlBJHro1pz-ZxDEPfTr2gVkHWfWx9Y,31387
ppmat/models/sfin/__init__.py,sha256=5wXSPFP8QrixjTT-GhmoVxmd6ua0-4XZeQnrNcb53vY,987
ppmat/models/sfin/sfin.py,sha256=ujQL6RKMC1BoNY-Q63bwmJgtMvdtw5O6gwZQt8DQPyY,12283
ppmat/models/spherenet/geometry.py,sha256=M2v6_u-KS7iQS9G0kl7OQVBqqH7-pytpmQnOGwHqUSQ,6122
ppmat/models/spherenet/spherenet.py,sha256=WuCQ1oFbC-8sr9PQz2IPLOXo9CHYrTX8ukFx9LTmTWk,18624
ppmat/optimizer/__init__.py,sha256=1q04alvxLug6AMbNwAJXlD72uUsxgeyXm7e1k5WmdVg,3414
ppmat/optimizer/lr_scheduler.py,sha256=FJouRLekR4KB1LW7Wl5__RuGXd5-V10ets-oV6e3kWY,31093
ppmat/optimizer/optimizer.py,sha256=4r4hIvWTVYnl0nYkZuMcUFwGZ4cnBQ7-55rCOKxXx2M,19632
ppmat/predictor/__init__.py,sha256=qhsWe_Dmd-ZoAwFG_BTdNY2FJReB53tLcm1vDMjmB9k,691
ppmat/predictor/base.py,sha256=OnI3ZCDxvCCZ9OH45SaDtc672ftyXG8VyozJbhyP7fI,9383
ppmat/predictor/structures.py,sha256=1jXuClGxfyLwErWBWEEY07qnFsNVreiA_8Ujs2kM9Fw,2653
ppmat/sampler/__init__.py,sha256=BqMsoCNDPhjwLDxA1eNLtV9ndDWIhShqHE0OdVwqaZA,607
ppmat/sampler/base_sampler.py,sha256=RtIBIedcXMSfEJfPpk0zXNz_fIs9257a4sUyiihncOQ,40075
ppmat/schedulers/__init__.py,sha256=x2KkQmdO8j419W6U1OKHMrww6UsmvTdLov8Seg5kbY8,2101
ppmat/schedulers/scheduling_d3pm.py,sha256=rkLcgVSDPLVy8XRtEL6lw7rSUjdq6qMGqNWWLixsfY8,18070
ppmat/schedulers/scheduling_ddpm.py,sha256=_wjEYrbn0hQ1I9um5X0SHNmodNQhPjh83mWr5see_FU,26985
ppmat/schedulers/scheduling_diffnmr.py,sha256=8vo-XU2BuWI_FV3tPbFZev8CjIZx71En-dk7mayTaQo,49301
ppmat/schedulers/scheduling_diffprior.py,sha256=zlftaeO_2RyrqATOzZUnDH66O7bogo7sHBuKQgGvwzM,9755
ppmat/schedulers/scheduling_lattice_vp.py,sha256=1Q9jamMuHIS8mtRgCLIFDpOQM2kh8EUFrodCQ9HfxSw,8932
ppmat/schedulers/scheduling_sde_ve.py,sha256=GkJvF4gEU8BNBBwwc0xbLWUE30pxz1jTqBLnvDqNrZk,21363
ppmat/schedulers/scheduling_wrapped_sde_ve.py,sha256=9HmkgB2hIf0gYUL02TV9zKuGyGUQoL2C_8AzmZqFOnM,9550
ppmat/trainer/__init__.py,sha256=-GdFxX0pWdu4RYGwAOXVCo7m9UoR-KNq1efUSheMGIE,314
ppmat/trainer/base_trainer.py,sha256=XL85gLcH3M3AWzanpD4l57he5dT-X3L2SfK1r4PDaco,44249
ppmat/trainer/trainer_state.py,sha256=VkCALKhzEdhI9VPLk95vQqN7BkYYMAyt14zW3zZ6wgI,3503
ppmat/trainer/utils.py,sha256=2iSVmi9JZqNm3gjXezNLepUzysCnE2aLg-EdVv6zGgg,2939
ppmat/utils/__init__.py,sha256=GOLFkjxI-4TgG55tg8UXlX967pJDICTOCBfeO4wxyM4,1146
ppmat/utils/crystal.py,sha256=XDKFLmGHahojleLxpLTq1miY3DNAL-Z1W-StWSW-RMY,15942
ppmat/utils/download.py,sha256=Zhha2uDHpaC021_lCKTfSkEiv3jcInY7x7hVpnAJrsQ,9929
ppmat/utils/eager_comp_setting.py,sha256=AUmFfU3xPtoHhDW0oItgCrBUhx6rBshIRZazklaC_1Q,1645
ppmat/utils/ema.py,sha256=cJfjJdnFK5qzWm4Usvpt0dqm1I6A5PasyDbId3yKfeQ,5390
ppmat/utils/ext_rdkit.py,sha256=2yneVe1D3Xy7Kabugi3BfeJaQnrYR9UwhAp48pGbS_w,12606
ppmat/utils/fix_pgl.py,sha256=oyVCiLkw0ShYEbBdnaNSRiLYv7LFMKC7EDpVQS7jOqc,2220
ppmat/utils/io.py,sha256=rjjbM7yAte7nZ23_LQ2Mx9s2sgjj5t0UjU4d3h1kuYU,4085
ppmat/utils/logger.py,sha256=AUMegvhzju2OcSpIGJYkhTvj1mH5hhgdBkpUqyB2et0,8648
ppmat/utils/misc.py,sha256=3U59OYxrstxb3vFcUrMSS4N8LP4HiV7Sl6gXt9n-Ss4,27987
ppmat/utils/paddle_aux.py,sha256=NV_p-CGmUabT1u3-3P3fniTSrS6EQeAe1WSsFeIPBCU,5991
ppmat/utils/paddle_utils.py,sha256=cjYYSGlLMAkRoPTCio0nR3LfeTOBYg9Ez3uug-8pMt8,12304
ppmat/utils/save_load.py,sha256=CRzKiMxo_iHwSekE66kRFFKhToaKcAiO_4lB2vSe9mc,10134
ppmat/utils/scatter.py,sha256=2hvApIJphndqA31ioK6-AXPr4ZhysABn4f8e30imXI0,5620
ppmat/utils/visualization.py,sha256=Q42T104Ee1mZ26jC51BT5gb2F1V7tKrZ6iagGxvX33w,9678
ppmat-0.2.1.dist-info/LICENSE,sha256=pe9UXIno4EQ2ng4ngy9UGFL2C87Qp76YRORhIBfkuKg,11438
ppmat-0.2.1.dist-info/METADATA,sha256=ic3YpJrulc5_Zl7H3AcxmxvuSrQTmT5l6jwbm_cGMmo,12336
ppmat-0.2.1.dist-info/WHEEL,sha256=ztY70Zvs0ARY8LAGRNqN9UTrvtsZ4O98dZlKjkbbcTc,152
ppmat-0.2.1.dist-info/top_level.txt,sha256=0oqLTg0wjeYcqzDu8s_oGJSbl915dH_mseY_9-VCfd8,6
ppmat-0.2.1.dist-info/RECORD,,
