so3krates_torch/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
so3krates_torch/blocks/embedding.py,sha256=SDVD0UG4YDmYjRdFZfU0dCy_y-bsVI_r9EVfhTnlL-g,5922
so3krates_torch/blocks/euclidean_transformer.py,sha256=QysHXlJWhaR-tIKcBrG6gzlUiJTsXwvF7B2E3WectG0,45222
so3krates_torch/blocks/output_block.py,sha256=NHFkdASkEmAZe_oaVIG2qMzAHWSQuYiDQ_A6HsxMMLg,20955
so3krates_torch/blocks/physical_potentials.py,sha256=Rn3X0zIaNHF2KNuZKY02rY3UWG_AIUx72VKX3qjN8y0,24870
so3krates_torch/blocks/radial_basis.py,sha256=qVZCQIG3kLh3IV1jb76cVzq5rBJVQaRVQtjScAyk8gY,4845
so3krates_torch/blocks/so3_conv_invariants.py,sha256=AM5jGXXD_3EHOj2h4XoguCle9UbpWr2ATjG2JAwiI7s,3265
so3krates_torch/calculator/lammps_mliap_so3.py,sha256=jCTFwkK_GONIL7g48x6uV8HJ9X1pjDpOGBNGGrJUcSI,13486
so3krates_torch/calculator/so3.py,sha256=VJGsQpYLgQNbHfGY5Paba8W6IHtqlu2t0NZm0f6ppGM,21807
so3krates_torch/cli/create_lammps_model.py,sha256=CYx-6ETv2YCgifInKe3u0yBbUHrwblcsZkzhJGZ4jbY,7336
so3krates_torch/cli/jax_to_torch.py,sha256=JOwIgHnY0dvDtBnI9pKfbIJqsctyE6RsyoYKiy5taSo,2665
so3krates_torch/cli/run_eval.py,sha256=C_jddAePIS347ldCrs6xA6JkvfUmic9M_WHnfRcY7vI,13991
so3krates_torch/cli/run_merge.py,sha256=kCpoiOOEeZ9_GLiZOufC9ulnE_7kDK0Eta0ARDZSCzw,2924
so3krates_torch/cli/run_metric.py,sha256=4_M9irTGzEpuORC9t5OmBH-o3CtKJ_Qd9S3g13FTZcw,7140
so3krates_torch/cli/run_preprocess.py,sha256=eSxXKxPvSUcGwZtW-lzjq9zPGi8w7TXwO5ysaXlldjg,10368
so3krates_torch/cli/run_train.py,sha256=kRyGdCn7JeqZtsNASh5TiF6BGitreQ634D6Ehf5hSec,14096
so3krates_torch/cli/run_tune_pme.py,sha256=yu-SSu5jKnbF0wjOJVYveoTvx_hW7eROr65uHLrLxXc,7258
so3krates_torch/cli/torch_to_jax.py,sha256=72UBa7i0RdoA872f4t-J-UxF8otXR7oCdAtwCCsfASE,3148
so3krates_torch/cli/visualise_train.py,sha256=_UapmuOTX04yAkfYyAduGnyLr_W4Bto3ZMMz9gGsg6M,30522
so3krates_torch/config/__init__.py,sha256=Osn2yzmv2-u-EmiUqDVsF3P76c3AoRqHGJQWTHEEfYg,542
so3krates_torch/config/cli_models.py,sha256=GM30DXfoXxvsrNdx0DjtUBmyKmhuf6--HLYy21oAgew,5629
so3krates_torch/config/training_config.py,sha256=vHWYp-qe-a0A5vIy0bTTZbfMf2TMKF8MoN3tn0HwkP0,7926
so3krates_torch/data/__init__.py,sha256=-6wzK28bzwjPcebB71JbhC-1JR_OfmImNt5g9bYC9X0,356
so3krates_torch/data/atomic_data.py,sha256=PxmEUpZE3xQUeF7H1YzeAEJmwDjRMkraYn5CoO3sM6w,16115
so3krates_torch/data/base.py,sha256=1XQ3hgPeYQpMnTW4HoqSYkIfxDCyLlfWPZ209eLHdRA,2180
so3krates_torch/data/cache.py,sha256=c7anGQjKf80rZ5g4oDJSipTvcCSY-M834159iZuT3r4,3443
so3krates_torch/data/hdf5_utils.py,sha256=82G82DVlQXYDK6FDub0aFY0sm83ZooygrmgBtCl4tTY,61920
so3krates_torch/data/lazy_dataset.py,sha256=X8zlB2-y0-XvRApi4cTRu9YPcNqc_co6TB79pGomz_Y,3430
so3krates_torch/data/neighborhood.py,sha256=STN68X0pyKvNw5tHJSc87PDToU9d0eeQWmBHRMExvH8,4988
so3krates_torch/data/tfds_dataset.py,sha256=BjCLy-m5UXFeJS9hUEUT4_QB442g2gZ0733DRcqZEsQ,4654
so3krates_torch/data/utils.py,sha256=8UuIdZLb1QMvlVWBfGFgg-5p3YK8-buiyGXox6hMgSc,24848
so3krates_torch/data/xyz_dataset.py,sha256=m1BopC0O66Y-9prCdt0Bg6czuSfxKyRJJgag4aIxLh0,2838
so3krates_torch/modules/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
so3krates_torch/modules/cutoff.py,sha256=VqFe6R0hGZjKjiMbAcsJxI7Lv-7oLWEpUcDhIyJO3b0,3980
so3krates_torch/modules/loss.py,sha256=-6_5a3_Xigr3lzm7NBfEyT_uUHGHv-foNc30vIn6_50,12275
so3krates_torch/modules/models.py,sha256=4S2a974XU7P-XYE9ddoo5I6WN0FjmNJpXMDln7ErwKI,42617
so3krates_torch/modules/spherical_harmonics.py,sha256=MMsuJdifVgMPdZJ3m2APBOBp9F_DHf4VYBjJMe5NI3o,3608
so3krates_torch/pretrained/so3lr/so3lr.model,sha256=tRRVZJEf-YPtB2zLK8pc5jRUt0ycgpEJJpVGPx5nMr4,2201911
so3krates_torch/scripts/plot_errors.py,sha256=bTFwjVuu_E7WlyHYPNJqEJdnerTIlK5bLYAhJZbPt0U,26527
so3krates_torch/scripts/run_train.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
so3krates_torch/scripts/set_weights.py,sha256=2TQ71fdH6qG4k1VJTkvK_Le5FM5wXcgOpAN6k5dMKfo,5286
so3krates_torch/scripts/transform_xyz_headers.py,sha256=c-M218aX3deozUS6JRIsht7QrWdx-UU1tL0xiXv-gIA,906
so3krates_torch/tests/conftest.py,sha256=jqxv56Ib0H7kfg6kvUZtF_9Y2RmqPAXuGkuKBmwsBCQ,9438
so3krates_torch/tests/test_autograd_utils.py,sha256=bYEkl9I2B0FOhnOs6RQbHIWT2Ag9AVZyq0dhxzJxW-E,6488
so3krates_torch/tests/test_checkpoint.py,sha256=fsV-vLqvk9H_tceILxrwwjzGg-0xThX-7PqqFrj8rtU,5485
so3krates_torch/tests/test_config.py,sha256=2MMsOG6OCIjXWZI8hLkU_TaTKiPLa-nuVYTpcS8fXwU,7705
so3krates_torch/tests/test_data_pipeline.py,sha256=P4bvgGRXSBWBykIWdu2HWGts_HkYpmIRzbQql5Kwx20,21047
so3krates_torch/tests/test_descriptors.py,sha256=ywDI5x4rMulsbR5sEmRlM3WwU-qV_MY5a14yozxXhio,14486
so3krates_torch/tests/test_finetune.py,sha256=prNw3BT--HymnL9sBaxuhP6uB5PGI2VqOOzsDozXIZg,9310
so3krates_torch/tests/test_finetune_checkpoint_restart.py,sha256=YzAM9m8y5nbQ7zvOfrsv6gtvxqKVSqnoBQm4qqAhD_A,9985
so3krates_torch/tests/test_hdf5.py,sha256=ElXq50QrXOey0yELwVOdtCSJIHjP4xlyYEGTmJ4fmso,18370
so3krates_torch/tests/test_lammps_mliap.py,sha256=laKprUiSlz8jsusyPildhrXFyhX4_PfrJ8ZCqB4GH2s,43826
so3krates_torch/tests/test_loss.py,sha256=27srAth0lJFSqHViXVxu1CGQztr705rc345KLqOz-gc,19122
so3krates_torch/tests/test_model.py,sha256=h5kkFe1H4icSUG-_DvAnte1OlD5u1f1dQHNCKX-j7Bs,791
so3krates_torch/tests/test_model_inference.py,sha256=Nd1YiEZEjAn4ywAWpR0GTmth8Q4kF2lq7vrky1P2m1Y,17757
so3krates_torch/tests/test_model_init.py,sha256=yYj38ifhSsy9yLig5gDVX4fdSUQziBjjce5QH-OjqPA,1851
so3krates_torch/tests/test_model_io.py,sha256=JhvCuOQF7ENk04sg52InMBauXQKf91gbaI2flazfDL8,4540
so3krates_torch/tests/test_neighborhood.py,sha256=nzQNyA-1cOPxEwfuDi5bD48IbbR-StQ-u5fN1NGBHv0,7645
so3krates_torch/tests/test_physical_potentials.py,sha256=LkDZ5D7oSbA1viFXhca3PYcuYrNJuZ5ChKEd2IzHxVI,15506
so3krates_torch/tests/test_pme_electrostatics.py,sha256=Pe16ZPcdkEfUcTMOX8vs9MyqUC3zLuBRgQaFoY8f5dg,16087
so3krates_torch/tests/test_scatter.py,sha256=36PRLut15YGu5O74y9jC9RlvfKBHMujHekKCCWteQ2M,1872
so3krates_torch/tests/test_tensor_shapes.py,sha256=RiLVEjh-JG7KuOEX7wYbb-_Wn--dG0XTm_AXE1oVrvM,4837
so3krates_torch/tests/test_training.py,sha256=tYsRl_xZHytRkLloQD0r2dEio6MSgmYOE0N9gz_0CmQ,17253
so3krates_torch/tools/checkpoint.py,sha256=8u-SAuiswJkzm6NwDRT649HedzzF9v4kEXCQp5s0j7s,7844
so3krates_torch/tools/compile.py,sha256=jEm_oeicRGutyuBp17iyGDk7G3UbR4IQ4TyTktNNgIQ,2748
so3krates_torch/tools/data_setup.py,sha256=kl8ljj6S85-FhwXcT8uqK3S5fnPyJT0xkxFy24raTyI,30455
so3krates_torch/tools/default_keys.py,sha256=pEvI3yz6ID716vxyEWt3Ps-qAQOnGB9DLACBq0bcuQ8,666
so3krates_torch/tools/distributed_tools.py,sha256=BSgn0uaBl4BJ3Kv0XKfLV0WRO9ocvZScgE2oj7UbbZU,2085
so3krates_torch/tools/eval.py,sha256=CKNrbSDJ7oYZAeMmhsO3BaoDdmtklg2ZcyzzklhTaig,38587
so3krates_torch/tools/finetune.py,sha256=07igD-f0SPaF4rdxUaO_Snh2iYjE22Deu2y6If4O-hg,15539
so3krates_torch/tools/jax_torch_conversion.py,sha256=tT1p5pix8DkxxWiEHCg4L7a_rJnXb63ZRXlQfTx39vg,42991
so3krates_torch/tools/load_descriptors.py,sha256=4gFwfieuHaL6kgQEdNwlEKXBjPGur3vJ35Fy5GAKI9c,5712
so3krates_torch/tools/model_setup.py,sha256=q-WAWrvLcLM6w33aaqTxm02cAiVitbFnGs02KonN-0Y,15085
so3krates_torch/tools/multihead_utils.py,sha256=B87hncgbpJvH2AbtAFcXOaCAQus_01mRDH9KwNiI0X0,4155
so3krates_torch/tools/scatter.py,sha256=87C8rG84mgJ6-TA2EBIYMTk5zAmEfQ0dqOLGV78Y0Tk,3341
so3krates_torch/tools/slurm_distributed.py,sha256=cOn6a0bPzL17cYKTVe6K0yuVAatYkc_6Hw-KXQHAHdw,1768
so3krates_torch/tools/torch_tools.py,sha256=xv6DLDGGUy70yevuQpy44LKBblQK5oh_Nry6ABgRanw,4420
so3krates_torch/tools/train.py,sha256=uorHNaGiB7NOSFUU92Lm548WYTRgAM__t9hxbC5D2XE,25119
so3krates_torch/tools/training_setup.py,sha256=XV1a51A_lauYu_OAVRZHxtTH0RQee_6C3FX2n7pm1Fc,14095
so3krates_torch/tools/utils.py,sha256=r__8iGzyBDDE5KAyJbQWDUt16sUA9XgLQMWkC22H714,37128
so3krates_torch/tools/torch_geometric/__init__.py,sha256=RM0xFUly2XnxIIfCgSihQSV2a2WozTE460WfT2DKMTE,219
so3krates_torch/tools/torch_geometric/batch.py,sha256=sqnSQ_Mp4JVj2thDokSr-6A0358WW1SIx5zW5Hm1IDU,9995
so3krates_torch/tools/torch_geometric/data.py,sha256=ZglzDG3UAoeDeD48CJ2BF6jhynvPqu3TjOs8EpJABN8,16250
so3krates_torch/tools/torch_geometric/dataloader.py,sha256=VynSC32RAbum5vubXX0r4nYSokc9CauyrnkpDoZrgSk,3102
so3krates_torch/tools/torch_geometric/dataset.py,sha256=Wgfph7Mjcmnq5Mm1kaO6murtmyzHxego4d357AUY3QU,9957
so3krates_torch/tools/torch_geometric/seed.py,sha256=BpLNofJIUPwae7xyWplP0t_J4eplLiiy1T-hZQ9Kwq8,605
so3krates_torch/tools/torch_geometric/utils.py,sha256=eyw_Upd3-vE0a8z77di43svKnwyFYXcsa-BjCp5vpyY,1313
so3krates_torch-0.2.0.dist-info/licenses/LICENSE.md,sha256=MvQovlRxT5AgkaKBVeX2N_A-PYZkPX70Ta8zmlYNkW0,594
so3krates_torch-0.2.0.dist-info/METADATA,sha256=arak_Ada9z34pPRuxrw3SXOAOiA0utdpLX7X5H2FRhg,38646
so3krates_torch-0.2.0.dist-info/WHEEL,sha256=aeYiig01lYGDzBgS8HxWXOg3uV61G9ijOsup-k9o1sk,91
so3krates_torch-0.2.0.dist-info/entry_points.txt,sha256=2K5bPLN-KQY6Hv_J-aOBaAuOS93a4CpuNDhJN9pRwmo,567
so3krates_torch-0.2.0.dist-info/top_level.txt,sha256=8cfgTtA201TzB_JhmtpufSnKVkqSZlDbPYaGlosfLqw,16
so3krates_torch-0.2.0.dist-info/RECORD,,
