zatom2/__init__.py,sha256=aZFCdfzOWslPbe6OGTsbFy9socnoXu-HL7l_4RkADBQ,372
zatom2/cli.py,sha256=dV_L6Lhh3cta32xgukTG5IwKa5amNmLflFfyxYRbdEc,4534
zatom2/generation_evaluation.py,sha256=bxi2UJyX6tAcUS9D09BEKXrIxFrJbW_F_dbH4Jtlik8,51710
zatom2/inference_batching.py,sha256=KY_Ralot2zwWBrDqFHD4qSEgsAfWIajZcn1-wLCkgsA,6134
zatom2/mlip_evaluation.py,sha256=HziQK3Bk0VmJMVZwaZPL2gZZMK1GFKHZfx_YX9F76aM,41207
zatom2/run_inference.py,sha256=pQj8wZyoMwy3TBwGyw61Re2Dzz6e-i9gGwmf9saXD60,37747
zatom2/table2_evaluation.py,sha256=VtFtOW0Gte4uI3qMbCFnnF9W3HaCNyPva78icSBx-II,124449
zatom2/table2_resume.py,sha256=JpSSnVRgOC0sNkBBni3alg-plMKVFMVd4cx--J5bmAQ,6977
zatom2/train.py,sha256=A_okqMif-7ptkSSBXkKfQrcjwGhpF1Jb1neYXyIwgYI,10630
zatom2/version.py,sha256=JAAyU3al4wmBf3BF-Umm1J_GrCIT-yS_yWEGHqKRVHc,520
zatom2/model/RFD3_diffusion_module.py,sha256=PmREEvmSBL_E5Gck7cyvabQxrTdNJxfIw1YbDRxwi18,43215
zatom2/model/Zatom2.py,sha256=XzhRfCVqoD97avVMLm34nSxeQHYCxRjKj16WraqcYYw,31605
zatom2/model/Zatom2_diffusion_module.py,sha256=rQ6TFWV7F4o0ZSWsGUKD_zPQuQvdXSx_e5azlLQdRBM,64147
zatom2/model/__init__.py,sha256=lrut5BoBSWGrQNWrzS0Mhg-7PBQpTy9C4a_mfiYRqOo,312
zatom2/configs/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
zatom2/configs/generation_evaluation.yaml,sha256=IoLRULIDs5q-iRECBCsiVCV1IrZF8-_9y2fo1KNaZVE,2017
zatom2/configs/inference.yaml,sha256=PB6QL5bA5fSC0Rim4DSVhv1MQve0wSJHHBfm9Ixay2o,71
zatom2/configs/mlip_evaluation.yaml,sha256=dhDAqk9tHBnmtcJxpwLbay67neLea5Gq1nv1_p2v0CU,883
zatom2/configs/table2_evaluation.yaml,sha256=IPJGczf2rBNsG1PS_o5_Y1ungsnnvqPyl3LC8nclyXQ,4314
zatom2/configs/train.yaml,sha256=HHOFiROKNvGTswaGRaNS16sJAfTCUMCzwwik2NIf4tc,597
zatom2/configs/validate.yaml,sha256=hDUF7RIlbXH2fL6Jfk_kbY4rTLUpjLHVy6rD4ZX_kos,618
zatom2/configs/callbacks/design_callbacks.yaml,sha256=5OSGHP4Hqhzi4oaWaBhvlmYP0-i9vGLF3fzG6oCNje8,216
zatom2/configs/callbacks/metrics_logging.yaml,sha256=QNriYUO6cZ3ZhbioL2saMlzlG5PkHiJvfJgI5kuzpQE,4885
zatom2/configs/callbacks/train_logging.yaml,sha256=htGpyUXtzt2r53LX_XFi1uS11IhMtFB4ca7T3sUzDoI,1348
zatom2/configs/classifier_free_guidance/force_only.yaml,sha256=0L1stmO4XGjZfSICfsJ-8yIfXlK5iPuNhP5tlM0UAR4,108
zatom2/configs/dataloader/default.yaml,sha256=gko2tj9F4IBbXrJIPBgkydjzIm74EiYb-xQV_a8WPkg,405
zatom2/configs/dataloader/fast.yaml,sha256=XxuFdH48HbHEbwRDhyMCCUjuDIuF2GFVMV_HiEbH9yg,162
zatom2/configs/datasets/design_base.yaml,sha256=w1jUl5AtYIGrenEFRj4glGwtY4SYijpflEJPq5zRy_E,3365
zatom2/configs/datasets/geom_drugs.yaml,sha256=YjG39S1td5QU1ZdlC1ljNluRgjCOD7_DvdSnnlR1L6A,1727
zatom2/configs/datasets/conditions/island.yaml,sha256=XXpv0ARG50HRmVKP6jrGAX6AjgxNBy7P3U2AaLahEoI,1502
zatom2/configs/datasets/conditions/mlip.yaml,sha256=sSbbiVZN2n__i1dULmymk_8XHdgaFmM7Isca17Im5rQ,285
zatom2/configs/datasets/conditions/sequence_design.yaml,sha256=uT5wIpcAJ4A3u-_iw6jlnu-LWF_okg7YwSTQbQxo-30,360
zatom2/configs/datasets/conditions/structure_prediction.yaml,sha256=2RGxXGWFvPofrphtj5ceacjJQd2SuGZp9WvT0XNz3d0,365
zatom2/configs/datasets/conditions/unconditional.yaml,sha256=RJcNrrURNlq80tTBRaMgNU-xhcTaKZLuwZbe-ocz2h4,466
zatom2/configs/datasets/train/mp20/mp20.yaml,sha256=bwqPhXmQyoI_pteIIQyj1EXeFo3HtaSm8mD2KGXJtAI,3607
zatom2/configs/datasets/train/omat24/omat24.yaml,sha256=Eu3itF2m2ER17MR4mVZyCCGdXoScHFg3K4Ya8t6XH48,3739
zatom2/configs/datasets/train/omol25/omol25.yaml,sha256=qEgYW5zxfgA_2lS6cokgxFQNW1dkFZT0CJZ1vN8Q5nU,3639
zatom2/configs/datasets/train/pdb/af3_train_interface.yaml,sha256=nRQcitHUtYn4rj65Drk1GX_8cmLkERKEd3ZWNiHSqSQ,1548
zatom2/configs/datasets/train/pdb/af3_train_pn_unit.yaml,sha256=kRIXhnnMlZXauJ_CDjWTF9TfRzCo19eCPF96ZQzUnBo,1319
zatom2/configs/datasets/train/pdb/base.yaml,sha256=2VUEAKADyvjJmWP4FeOJwRat9r6F3_GXuyGYjvMvArw,291
zatom2/configs/datasets/train/pdb/base_no_weights.yaml,sha256=8HchN7DqYESBK520vShdg7xidWBSogGRAxfaxa5pKdE,554
zatom2/configs/datasets/train/pdb/base_transform_args.yaml,sha256=iMJHTf8utW2oZem8abREM8o4k43QGuV3ObroBWr2gRM,3210
zatom2/configs/datasets/train/pdb/pdb_base.yaml,sha256=5PAHphvkt5tbg9Lao35LuX6flvFCXjLkpG6ICBYoLD0,231
zatom2/configs/datasets/train/pdb/scope_rung.yaml,sha256=TTbMRpuPVWHhV6DUJeL7TbnEO0fLLHMMFpLAHFj3dXQ,825
zatom2/configs/datasets/train/pdb/zatom2_train_interface.yaml,sha256=YeZI178-pshgy-wvu059JkcxuHJSdfQYvMu286VJI7U,927
zatom2/configs/datasets/train/pdb/zatom2_train_pn_unit.yaml,sha256=EKjwey-X96eYYb1Y1Dj-UwlTKezsAcNeL9x-xiFe9ZQ,785
zatom2/configs/datasets/train/qm9/qm9.yaml,sha256=-G3yG3biXB0xIx-l0Gtxi1TZ1xf35HVvun9q3VS-b1k,3433
zatom2/configs/datasets/transforms/geom_drugs.yaml,sha256=khOmXJaKMOXYFbrIKAPrjsU1Svp242DhCyj4yPFBonw,1889
zatom2/configs/datasets/val/design_validation_base.yaml,sha256=lPoM3OVo10Q9k-cDSMTSIruee1q4RlZngnnR32Txrxg,2245
zatom2/configs/datasets/val/indexed.yaml,sha256=rYRjzyyMGiwi3rqjWAj3JtUymz13fA7HvrPFgdgPO1E,160
zatom2/configs/datasets/val/omat24.yaml,sha256=dzav0c9K39LN6OttwpTrxo2PIE_LZwJut-DWxC-EaPw,518
zatom2/configs/datasets/val/omat24_subset_dataset.yaml,sha256=7g05Oy9QftAxN_hbohFdOHAVuZcmhWDZkYZ_Mhwh3OI,4038
zatom2/configs/datasets/val/omol25.yaml,sha256=_fR9BsMxSVP_JobH7_1vhkme9XpkzXNYYSkvFdrqvfo,661
zatom2/configs/datasets/val/omol25_subset_dataset.yaml,sha256=_SqVKzbdKImQ5HEhVef-6nk4fjDWMI_wlIPlFRWAsLk,4108
zatom2/configs/datasets/val/unconditional.yaml,sha256=oN0h7G8lOTruXx4AC0-9lZMM0Sy_Hes-mcssIZ3KC-U,243
zatom2/configs/datasets/val/unconditional_deep.yaml,sha256=-b0k2glQUPtin-6hE4QWxBrk-L05FwuD9aC5riVfd1w,174
zatom2/configs/evaluation/omat24_structure_prediction.yaml,sha256=Zq6p6DQtkkifdaT6TtVkpjcfBlCEpQk2vXaMkggYa2Q,498
zatom2/configs/evaluation/omat24_unconditional.yaml,sha256=BNyGHf3YIbq6SYPr0r3gqBlgAXB2UIipwbylBgO6WzI,380
zatom2/configs/evaluation/omol25_structure_prediction.yaml,sha256=dUk6p9a8IbX0xVuUeMF9o3xzOLJgxrfIWDj7P53JE_E,1005
zatom2/configs/evaluation/omol25_unconditional.yaml,sha256=yKsd0WsSGigImZtdCvgfl18TGwxG0Ah1nTsZmigUg44,558
zatom2/configs/experiment/paper-figure1-zatom2-500k-each-joint-properties-force-conditioned.yaml,sha256=CPnhB2y_6AiyJY8hfFLaiNw-dZPUd0gq9UUgdXggKb4,1251
zatom2/configs/experiment/paper-figure1-zatom2-l-500k-each-joint-properties-force-conditioned.yaml,sha256=SQQp3DZesJYIu2ccm2RYAygRoFQfKoNHpJx_1BWn0tA,605
zatom2/configs/experiment/paper-pretrain-base.yaml,sha256=s00TY9QM1EYWrGoLnSSGsFeAXcuGV3ZAy1Rcis54HkA,5193
zatom2/configs/experiment/paper-table1-zatom2-s-omol25-joint-force-conditioned.yaml,sha256=whNLoqEDhfpwFNPBl1tGHN_3WPzDE7_nYmBnpVjd4Gc,885
zatom2/configs/experiment/paper-table1-zatom2-s-omol25-unconditional-force-conditioned.yaml,sha256=n5OVZEHEqec5cTFrCdOw3CqJExThTPLjX0qDPw66M9s,745
zatom2/configs/experiment/paper-table1-zatom2-s-omol25-unconditional-without-force-conditioning.yaml,sha256=RYpkhHXq46xHiTK2BdBlXKprHd2ltkDAXgiDmqA-2Ig,650
zatom2/configs/experiment/paper-table2-qm9-mp20-unconditional-without-force-conditioning.yaml,sha256=AoEGPl1IytkY6bX5QS-TUYuhVY_w1aVl4YBqST52Su0,1971
zatom2/configs/experiment/paper-table3-finetune-joint-properties.yaml,sha256=YDnJJYzjlu7RfCzihheNSpTN7nOdZ6o0mHeT_xJ8mTQ,1692
zatom2/configs/experiment/paper-table3-joint-force-conditioned.yaml,sha256=hTzGeZKqULShRI8s5kW3w6CWkOibTOMJRi9EOv1U-cI,458
zatom2/configs/experiment/paper-table3-joint-properties-force-conditioned.yaml,sha256=U69Nl8wg38VMzqjxbswdT---dq3BRFKTBFMRXs-GgbY,293
zatom2/configs/experiment/paper-table3-joint-without-force-conditioning.yaml,sha256=ji0cYYia9unSLKL9-Sh-csuOBIj-UuYktDG3Hp6HJWM,1144
zatom2/configs/experiment/paper-table3-zatom2-l-joint-properties-force-conditioned.yaml,sha256=I-MIhoUHSBSXKGSph21jvrmbX1sS1YXFmWXlatKCdC8,629
zatom2/configs/experiment/paper-table4-scope.yaml,sha256=tHPZ17F8QX7V53qOw1p5fsG3-dBKqZ_pTWq72X-M-bI,1014
zatom2/configs/experiment/pretrain-joint-properties.yaml,sha256=do0s-H7Oj2ixKPQg_C-8OmWngMuN2hFcYopDABADSSI,2970
zatom2/configs/experiment/pretrain-structure-prediction.yaml,sha256=4V9f8Md5-B2gsBc5vTu2mOzagbVtq2Bz2Yta1k03JDk,464
zatom2/configs/experiment/pretrain-unconditional.yaml,sha256=M98MYQxlpRWUldRkcfnkEGpjcYLyBODCaYQkNT4OPD8,457
zatom2/configs/experiment/pretrain.yaml,sha256=2GQE7NsgbCKlyNNpXInthmeFXHwNNmRkNXmaUCCRjJg,1486
zatom2/configs/experiment/train-geom-drugs-unconditional.yaml,sha256=qy945hVRdrWoJcTfc4cSNcHipYYVBrZL81hU16CFhkU,129
zatom2/configs/experiment/train-geom-drugs.yaml,sha256=mOvcZIufHrGfp0EwHmPdYpMxzgmYfBAZeNxVDJ2OvEI,1873
zatom2/configs/experiment/train-pdb-scope-rung.yaml,sha256=1AYiFGxLgFORlb63XTZPyRR6jHI7YUNuLTbIGyaxPqM,1701
zatom2/configs/force_conditioning/mean_force_norm.yaml,sha256=YG-_RdAQotFeSNa0kbe1iqaZgqkFu-gS0ZkiQuK3Sr4,272
zatom2/configs/force_conditioning/rms_and_p95.yaml,sha256=AKWImozJGd7PK_D03LXv5INmtgj19kkbpDDIR0nOqz4,268
zatom2/configs/force_conditioning_architecture/residual_embedding.yaml,sha256=mg3ycXlmp4c85XCHT_G7rBAkjSUuAJqK9-fi_K_dIO8,237
zatom2/configs/force_conditioning_architecture/shared_bottleneck.yaml,sha256=mQpgrnPHnb62mRm2fDvn-Y_RDpb3dewqT4z93ZBei10,182
zatom2/configs/hydra/default.yaml,sha256=t5roCXn9gWdOIwHlLuWzUsrZ2JiZRAfzdfU8L-swdx8,609
zatom2/configs/hydra/no_logging.yaml,sha256=Podeh_uimBWQHI-dBk3ea6ltk3H74qnmka5b7qNyiHI,121
zatom2/configs/inference_engine/base.yaml,sha256=xDX1f_-jvvljkBp6rAQWuz2t5Ui6X8v83EA3I00rxNc,250
zatom2/configs/inference_engine/zatom2.yaml,sha256=Ct_FTbplJvlxYC1HavmSZUq55we1UEpQDb2rtW4Ayf4,3350
zatom2/configs/logger/csv.yaml,sha256=2AL604KoqQ_G77IF2JTGIZMBmpPGVUJBpfju8BPNV4c,246
zatom2/configs/logger/default.yaml,sha256=Zl7Fx8Q5lo7C_Tz5ulhv-6ovzyLSVFdNdlEjutoGNtw,18
zatom2/configs/logger/wandb.yaml,sha256=Dg82Rjbpz8k_PU9Bx9WKpOHj7k15oQURTBMOO_FXYVU,757
zatom2/configs/model/rfd3_base.yaml,sha256=iOraTSe1oblk_vPziiEOEtXw08tmpSszQwUxSGiGsww,195
zatom2/configs/model/zatom2_base.yaml,sha256=5GZmfkEg0oQIYnQwHkfFDslNh1da6lWfgv69JMg1Urk,198
zatom2/configs/model/zatom2_l.yaml,sha256=8rpWieoVdxiO2YaxKzN5P5yoft-lc3DOAPPIvWj9z9I,328
zatom2/configs/model/zatom2_s.yaml,sha256=BIVvqvMkWSqfVazCBfM7i09D-KVYHVH3F1_k2pH9iS0,390
zatom2/configs/model/components/ema.yaml,sha256=AIzf4RZLKP8AcfaxdvZBS1rFw3AlSo431rmpMUBbFtw,24
zatom2/configs/model/components/rfd3_net.yaml,sha256=nxsXB7EQnVLlXJF4YM3NEVi-WwdaoJjVj2vLbckGRr8,4311
zatom2/configs/model/components/zatom2_net.yaml,sha256=OkHFzCuRzz413KXu2MJ_UuAdT7I_L_IEBrGhs79D_1Y,3890
zatom2/configs/model/optimizers/adam.yaml,sha256=cud7VmluP_iiZIx5JcZ392B7QzJm4sWCX49fovDzXBo,146
zatom2/configs/model/samplers/edm.yaml,sha256=aztHcC-ox_5N-JM7k3CuHbMqs9AtU_uv7Im_bKZbCkM,595
zatom2/configs/model/samplers/symmetry.yaml,sha256=UeIVKdkO7T6F4QSkKpvrcQvuu1ZrAkz_JwDJP9d2L1Y,215
zatom2/configs/model/schedulers/af3.yaml,sha256=xEtRb--KPjg_5pW_IJvN9AHWVqCtOM4QOnXlMH2KrEg,149
zatom2/configs/model/schedulers/exponential.yaml,sha256=pNoAkdHVkr7_oKT5EbTFjlD_R27asi-wxsXF7GzSFqw,62
zatom2/configs/paths/default.yaml,sha256=Uwxc0v15S2fkV72Zg_OPNS3bwxnN4MNRMBIQ_qGUx3s,991
zatom2/configs/paths/data/default.yaml,sha256=azg785B_pS5fyKsPqqyYFG9UX-i2DoPZqyeFAn4IoQ4,2764
zatom2/configs/paths/data/geom.yaml,sha256=JYHpHU9EF1Y45pGUTwngjHWh6w5HTccX3TwaS8QSVoA,178
zatom2/configs/trainer/zatom2_base.yaml,sha256=VIsc3Lg3Lozr-wSt1CkTQNpbv3Dnx4C9y3STp1HPqWQ,1787
zatom2/configs/trainer/loss/losses/atomistic_property_loss.yaml,sha256=sRxthtVM11yJ4jqWPrhTDoUXwYHsiuOMkOhy6Qirsw0,394
zatom2/configs/trainer/loss/losses/diffusion_loss.yaml,sha256=9DqwHUTZHIX5j-NAQILf2HiIGqETSoztxWHjDnbB4RM,374
zatom2/configs/trainer/loss/losses/material_geometry_loss.yaml,sha256=heiW4-KqKvXcAk92yO7lJP4b_jNHrGIIi7Z8RywtkcA,354
zatom2/configs/trainer/loss/losses/sequence_loss.yaml,sha256=LbtutM-PtXVNcXfU8LzHSumjfXWm2iOOsmaLWBiR5i0,199
zatom2/configs/trainer/metrics/design_metrics.yaml,sha256=aYdh8kQYi3SkO7WgFh3FDJrAd_S84hNrNgqGuL2YPlQ,1440
zatom2/configs/trainer/metrics/geom_drugs_generation_metrics.yaml,sha256=aPsD1AfydYflo2sapgQ-CdAGYaSd8uBt35zqj7W8mg4,295
zatom2/configs/trainer/metrics/joint_generation_property_metrics.yaml,sha256=tMrL4f3VyTAsKHS7c0lBx-jdsNeQTzwGXg7EmgyzuDI,735
zatom2/configs/trainer/metrics/material_only_design_metrics.yaml,sha256=5YBhy03WFHkUotPO5hMTlxtaujrDilT-9FdF8bAKxGk,1514
zatom2/configs/trainer/metrics/molecule_only_design_metrics.yaml,sha256=Nkolac1K2_G-QPUAY5Mo8IZLwFwjc8He73MXVMp-7F8,1480
zatom2/configs/trainer/metrics/paper_generation_metrics.yaml,sha256=nsX2bGEft82H9TZUXTMtDjWuU0iDEC01aJXUNwU_T_I,604
zatom2/configs/trainer/metrics/structure_prediction_metrics.yaml,sha256=04EgMzLarDLQk4DXM2R0TUgFD_f7dQWuksH5fzE7dvs,389
zatom2/configs/trainer_runtime/auto.yaml,sha256=AUt_9yzzcGR6OcD0Jj3Qzf4MjrZddBt6h2TTd8e7KSk,86
zatom2/configs/trainer_runtime/cpu.yaml,sha256=QrDHH5JDqKnvxPVfs6q7gjci7-ciW_rkOxeo3-vJgfE,85
zatom2/configs/trainer_runtime/ddp.yaml,sha256=OB4w73FfdMpVkBy7RJV97FdYrn5adDmFFSdhGGgFC-k,84
zatom2/configs/trainer_runtime/mps.yaml,sha256=JscgrNO-AvAOWJj6l318gwI1LT6dJf5ssBPsilbL2Vw,104
zatom2/configs/trainer_runtime/xpu.yaml,sha256=vtUQky0kk8si75AcV_MYOCPbb19WVmrPZkOA-7oOADE,91
zatom2-1.0.0.dist-info/METADATA,sha256=7qKo9645Ctvv2ZLUzMJfh5wyvXghZTjbAKk9Gr0NyDQ,11519
zatom2-1.0.0.dist-info/WHEEL,sha256=W3fkpkm7-wf9vBI5Z-7s0eWkeM-spu78I8Neb98DeEg,87
zatom2-1.0.0.dist-info/entry_points.txt,sha256=8VflcFcxVqQ9e_fMmOruo8uvhF4MPP40jRLUAVCcCxs,42
zatom2-1.0.0.dist-info/licenses/LICENSE.md,sha256=S80q6fmKHN6PQJIkS0CVmOGlk-0Ny8aLkNTi3tRjN90,2397
zatom2-1.0.0.dist-info/RECORD,,
