File size: 79,490 Bytes
9726ac3 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 | {
"source_pt": "/tmp/nexa_mat_weights_hf/decoder/diffusion_v1/final_checkpoint.pt",
"safetensors": "/tmp/nexa_mat_weights_hf/decoder/diffusion_v1/final_checkpoint.safetensors",
"bytes": 16263948,
"sha256": "d55b837f9600e82846e396f1a9384d52e99a17c43ac5a7d53bd14bb24d3e7395",
"tensor_count": 167,
"step": 225000,
"metadata": {
"created_at_utc": "2026-05-13T10:49:14Z",
"backend": "materials",
"run_name": "nexa_mat_diffusion_prod_fp32_b512_phase_sampler_20260512T162654Z",
"training_plan": "aetheron_materials_diffusion_generation_sanity_v1",
"training_phase": "diffusion_generation",
"model_family": "directional_potential",
"model_config": {
"encoder_family": "directional_potential",
"hidden_dim": 192,
"egnn_layers": 4,
"max_neighbors": 8,
"energy_mode": "atomwise_sum",
"radial_basis": 64,
"cutoff_angstrom": 6.0,
"message_aggregation": "learned",
"diffusion_timesteps": 1000,
"diffusion_freeze_encoder": true,
"diffusion_geometry_layers": 2,
"diffusion_coord_residual_scale": 1.25,
"diffusion_edge_coord_scale": 0.5,
"diffusion_coord_vector_scale": 0.5,
"diffusion_coord_anchor_scale": 0.0,
"diffusion_coord_x0_scale": 0.0,
"diffusion_coord_x0_gate_init": -4.0,
"diffusion_coord_update_gate_init": -4.0,
"diffusion_coord_update_gate_scale": 1.0,
"diffusion_coord_damage_weight": 1.0,
"diffusion_coord_noop_weight": 1.0,
"diffusion_coord_improvement_margin": 0.98,
"diffusion_coord_repair_weight": 0.0,
"diffusion_coord_repair_gate_weight": 0.0,
"diffusion_coord_repair_min_error": 0.02,
"diffusion_coord_gauge_align": false,
"diffusion_coord_x0_weight": 0.0,
"diffusion_coord_x0_gate_weight": 0.0,
"diffusion_coord_x0_gate_damage_weight": 0.0,
"diffusion_coord_x0_high_noise_weight": 0.0,
"diffusion_coord_x0_high_noise_power": 2.0,
"diffusion_lattice_residual_scale": 0.7,
"diffusion_lattice_parameterization": "symmetric_strain_physical_basis",
"diffusion_lattice_update_gate_init": -3.0,
"diffusion_lattice_update_gate_scale": 0.55,
"diffusion_lattice_gate_damage_weight": 4.0,
"diffusion_lattice_noop_weight": 1.0,
"diffusion_lattice_improvement_margin": 0.98,
"diffusion_lattice_gate_weight": 0.2,
"diffusion_lattice_repair_weight": 3.0,
"diffusion_lattice_repair_gate_weight": 0.15,
"diffusion_lattice_repair_min_error": 0.02,
"diffusion_lattice_ungated_weight": 0.0,
"diffusion_noise_curriculum_steps": 0,
"diffusion_coord_noise_start_max": -1.0,
"diffusion_lattice_noise_start_max": -1.0,
"diffusion_eval_noise_buckets": "low,mid,full",
"diffusion_science_early_stop": false
},
"encoder_checkpoint": {
"path": "/workspace/nexa_compute/artifacts/nexa_mat/checkpoints/nexa_mat_V1_final.pt",
"checkpoint_step": 200000
},
"dataset_root": "/workspace/nexa_mat_v1",
"dataset_manifest": {
"dataset_manifest_path": "/workspace/nexa_mat_v1/dataset_manifest.json",
"dataset_manifest_sha256": "sha256:4f97b2f01f35a02bc1cb2252546ed0bbd4e0debc8e069dae4020d526bc5e7cc3",
"phase_receipt_path": "/workspace/nexa_mat_v1/phase_receipt.json",
"phase_receipt_sha256": "sha256:8ec86ebb3c6a06acd154d6981d78be5ef3c332c5494633eef79e5875fbb8ef13",
"phase_ready": true
},
"distributed": {
"rank": 0,
"world_size": 1
},
"train_split": "train",
"val_split": "val",
"train_shards": [
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00047-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00001-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00011-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/mptrj_chgnet/mptrj_chgnet-00000-part00002-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/jarvis_dft_3d/jarvis_dft_3d-00000-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00022-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00001-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00015-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00021-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00027-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/mptrj_chgnet/mptrj_chgnet-00000-part00004-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/jarvis_dft_3d/jarvis_dft_3d-00000-part00007-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00018-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00024-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00030-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00015-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00023-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/mptrj_chgnet/mptrj_chgnet-00000-part00005-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/jarvis_dft_3d/jarvis_dft_3d-00000-part00003-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00010-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00007-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00063-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00018-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00009-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/mptrj_chgnet/mptrj_chgnet-00000-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/jarvis_dft_3d/jarvis_dft_3d-00000-part00006-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00051-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00000-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00026-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00013-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00006-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/mptrj_chgnet/mptrj_chgnet-00000-part00001-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/jarvis_dft_3d/jarvis_dft_3d-00000-part00001-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00047-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00020-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00020-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00017-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00012-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/mptrj_chgnet/mptrj_chgnet-00000-part00003-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/jarvis_dft_3d/jarvis_dft_3d-00000-part00005-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00019-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00009-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00046-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00031-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00005-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/mptrj_chgnet/mptrj_chgnet-00000-part00006-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/jarvis_dft_3d/jarvis_dft_3d-00000-part00004-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00006-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00010-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00061-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00007-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00015-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/jarvis_dft_3d/jarvis_dft_3d-00000-part00002-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00030-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00029-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00019-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00027-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00014-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00023-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00006-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00041-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00019-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00013-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00000-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00021-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00024-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00029-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00019-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00026-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00014-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00014-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00030-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00016-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00021-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00011-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00012-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00026-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00031-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00062-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00012-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00031-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00002-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00003-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00038-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00019-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00018-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00012-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00008-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00037-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00003-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00022-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00011-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00025-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00032-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00013-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00039-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00004-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00030-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00004-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00015-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00012-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00016-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00016-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00013-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00006-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00021-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00018-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00061-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00008-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00007-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00013-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00060-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00022-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00022-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00009-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00008-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00042-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00005-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00001-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00014-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00012-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000/omat24-00011-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00033-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00009-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-npt/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00024-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-relax/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-1000-subsampled/omat24-00005-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-npt/omat24-00003-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300-subsampled/omat24-00010-part00000.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00005-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00026-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/rattled-500/omat24-00019-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-3000-nvt/omat24-00002-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-500-subsampled/omat24-00000-part00000.parquet",
"/workspace/nexa_mat_v1/train/aimd-from-PBE-1000-nvt/omat24-00017-part00000.parquet",
"/workspace/nexa_mat_v1/train/rattled-300/omat24-00006-part00000.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00059-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00020-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00001-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00057-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00025-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00042-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00003-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00020-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00028-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00022-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00048-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00025-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00002-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00052-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00004-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00051-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00005-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00029-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00001-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00017-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00006-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00024-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00026-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00024-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00027-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00029-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00016-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00028-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00050-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00031-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00001-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00008-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00007-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00063-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00023-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00025-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00028-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00017-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00033-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00030-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00045-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00023-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00018-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00046-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00002-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00011-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00000-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00000-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00007-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00018-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00037-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00014-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00010-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00011-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00028-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00036-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbesol/lemat_bulk-00010-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_non_compatible/lemat_bulk-00004-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00039-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_scan/lemat_bulk-00015-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00050-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00027-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00043-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00060-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00038-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00015-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00023-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00008-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00055-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00016-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00034-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00009-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00009-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00029-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00004-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00048-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00007-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00031-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00052-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00041-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00044-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00045-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00056-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00055-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00035-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00036-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00028-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00013-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00010-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00004-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00016-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00017-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00062-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00025-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00008-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00056-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00049-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00002-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00021-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00058-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00000-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00003-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00002-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00054-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00017-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00049-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00053-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00053-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00027-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00020-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00040-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00043-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00005-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00014-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00003-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00035-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00054-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00044-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00058-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00040-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00057-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00059-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/ssb_materials_train256mb/ssb_materials-00032-part00000-train.parquet",
"/workspace/nexa_mat_v1/train/lemat_bulk_compatible_pbe/lemat_bulk-00034-part00000-train.parquet"
],
"val_shards": [
"/workspace/nexa_mat_v1/val/aimd-from-PBE-1000-npt/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/aimd-from-PBE-1000-npt/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/aimd-from-PBE-1000-nvt/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/aimd-from-PBE-1000-nvt/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/aimd-from-PBE-3000-npt/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/aimd-from-PBE-3000-npt/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/aimd-from-PBE-3000-nvt/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/aimd-from-PBE-3000-nvt/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/jarvis_dft_3d/jarvis_dft_3d-00000-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/jarvis_dft_3d/jarvis_dft_3d-00000-part00001-val_id.parquet",
"/workspace/nexa_mat_v1/val/jarvis_dft_3d/jarvis_dft_3d-00000-part00002-val_id.parquet",
"/workspace/nexa_mat_v1/val/jarvis_dft_3d/jarvis_dft_3d-00000-part00003-val_id.parquet",
"/workspace/nexa_mat_v1/val/jarvis_dft_3d/jarvis_dft_3d-00000-part00004-val_id.parquet",
"/workspace/nexa_mat_v1/val/jarvis_dft_3d/jarvis_dft_3d-00000-part00005-val_id.parquet",
"/workspace/nexa_mat_v1/val/jarvis_dft_3d/jarvis_dft_3d-00000-part00006-val_id.parquet",
"/workspace/nexa_mat_v1/val/jarvis_dft_3d/jarvis_dft_3d-00000-part00007-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00000-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00001-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00002-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00003-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00004-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00005-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00006-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00007-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00008-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00009-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00010-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00011-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00012-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00013-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00014-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00015-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00016-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00017-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00018-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00019-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00020-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00021-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00022-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00023-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00024-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00025-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00026-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00027-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00028-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00029-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00030-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00031-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00032-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00033-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00034-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00035-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00036-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00037-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00038-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00039-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00040-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00041-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00042-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00043-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00044-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00045-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00046-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00047-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00048-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00049-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00050-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00051-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00052-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00053-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00054-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00055-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00056-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00057-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00058-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00059-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00060-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00061-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00062-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbe/lemat_bulk-00063-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00000-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00001-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00002-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00003-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00004-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00005-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00006-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00007-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00008-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00009-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00010-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00011-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00012-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00013-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00014-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00015-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00016-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00017-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00018-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00019-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00020-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00021-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00022-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00023-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00024-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00025-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00026-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00027-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00028-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00029-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00030-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_pbesol/lemat_bulk-00031-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00000-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00001-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00002-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00003-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00004-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00005-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00006-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00007-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00008-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00009-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00010-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00011-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00012-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00013-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00014-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00015-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00016-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00017-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00018-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00019-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00020-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00021-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00022-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00023-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00024-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00025-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00026-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00027-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00028-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00029-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00030-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_compatible_scan/lemat_bulk-00031-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00000-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00001-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00002-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00003-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00004-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00005-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00006-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00007-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00008-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00009-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00010-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00011-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00012-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00013-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00014-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00015-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00016-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00017-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00018-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00019-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00020-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00021-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00022-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00023-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00024-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00025-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00026-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00027-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00028-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00029-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00030-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/lemat_bulk_non_compatible/lemat_bulk-00031-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/mptrj_chgnet/mptrj_chgnet-00000-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/mptrj_chgnet/mptrj_chgnet-00000-part00001-val_id.parquet",
"/workspace/nexa_mat_v1/val/mptrj_chgnet/mptrj_chgnet-00000-part00002-val_id.parquet",
"/workspace/nexa_mat_v1/val/mptrj_chgnet/mptrj_chgnet-00000-part00003-val_id.parquet",
"/workspace/nexa_mat_v1/val/mptrj_chgnet/mptrj_chgnet-00000-part00004-val_id.parquet",
"/workspace/nexa_mat_v1/val/mptrj_chgnet/mptrj_chgnet-00000-part00005-val_id.parquet",
"/workspace/nexa_mat_v1/val/mptrj_chgnet/mptrj_chgnet-00000-part00006-val_id.parquet",
"/workspace/nexa_mat_v1/val/rattled-1000/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-1000/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-1000-subsampled/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-1000-subsampled/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-300/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-300/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-300-subsampled/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-300-subsampled/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-500/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-500/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-500-subsampled/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-500-subsampled/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-relax/omat24-00020-part00000.parquet",
"/workspace/nexa_mat_v1/val/rattled-relax/omat24-00021-part00000.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00000-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00001-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00002-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00003-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00004-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00005-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00006-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00007-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00008-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00009-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00010-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00011-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00012-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00013-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00014-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00015-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00016-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00017-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00018-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00019-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00020-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00021-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00022-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00023-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00024-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00025-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00026-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00027-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00028-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00029-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00030-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00031-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00032-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00033-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00034-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00035-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00036-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00037-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00038-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00039-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00040-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00041-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00042-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00043-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00044-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00045-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00046-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00047-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00048-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00049-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00050-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00051-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00052-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00053-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00054-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00055-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00056-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00057-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00058-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00059-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00060-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00061-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00062-part00000-val_id.parquet",
"/workspace/nexa_mat_v1/val/ssb_materials_train256mb/ssb_materials-00063-part00000-val_id.parquet"
],
"objective": {
"diffusion_generation": {
"atom_ce_weight": 1.0,
"atom_clean_ce_weight": 0.05,
"fractional_coord_residual_mse_weight": 5.0,
"fractional_coord_anchor_mse_weight": 0.0,
"coord_damage_weight": 1.0,
"coord_noop_weight": 1.0,
"coord_improvement_margin": 0.98,
"coord_repair_weight": 0.0,
"coord_repair_gate_weight": 0.0,
"coord_repair_min_error": 0.02,
"coord_direction_weight": 0.0,
"coord_norm_ratio_weight": 0.0,
"coord_norm_ratio_clamp": 4.0,
"coord_gauge_align": false,
"coord_x0_weight": 0.0,
"coord_x0_gate_weight": 0.0,
"coord_x0_gate_damage_weight": 0.0,
"coord_x0_high_noise_weight": 0.0,
"coord_x0_high_noise_power": 2.0,
"sampler_geometry_weight": 2.0,
"sampler_lattice_physical_weight": 4.0,
"sampler_coord_step_scale": 0.25,
"sampler_lattice_step_scale": 0.2,
"lattice_strain_physical_smooth_l1_weight": 1.0,
"lattice_damage_weight": 1.0,
"lattice_gate_damage_weight": 4.0,
"lattice_noop_weight": 1.0,
"lattice_improvement_margin": 0.98,
"lattice_gate_weight": 0.2,
"lattice_repair_weight": 3.0,
"lattice_repair_gate_weight": 0.15,
"lattice_repair_min_error": 0.02,
"lattice_ungated_weight": 0.0,
"lattice_geometry_weight": 0.75,
"soft_repel_weight": 0.05,
"pair_distance_smooth_l1_weight": 2.0,
"geometry_damage_weight": 1.0,
"min_distance_angstrom": 1.0,
"note": "Frozen encoder conditional one-step denoising. This phase does not unfreeze V1 encoder science."
}
},
"label_contract": {
"min_batch_physics_label_fraction": 0.0,
"min_batch_energy_label_fraction": 0.0,
"min_batch_force_label_fraction": 0.0,
"policy": "Diffusion sanity requires structure fields, atom masks, and frozen encoder checkpoint only."
},
"batching": {
"train_batch_size_cap": 512,
"eval_batch_size_cap": 160,
"train_atom_budget": 57344,
"train_pair_budget": 0,
"train_padded_pair_budget": 0,
"train_sort_buffer": 8192,
"precompute_neighbors": true,
"train_shard_order": "source_round_robin",
"source_interleave_rows": 8,
"eval_atom_budget": 12288,
"eval_pair_budget": 0,
"eval_padded_pair_budget": 0,
"eval_sort_buffer": 2048,
"max_atoms_per_record": 128,
"drop_oversized_records": true,
"drop_oversized_eval_records": true
},
"science_gate": {
"enabled": false,
"report_only": true,
"gate_profile": "sampler",
"purpose": "Falsification-oriented early stop for diffusion R&D arms; not a promotion gate.",
"min_eval_rows": 2,
"min_latest_score": 0.5,
"max_score_regression": 0.08,
"max_core_pressure_down": 2,
"min_weighted_pressure_score": -0.1,
"min_coord_improvement_fraction": 0.5,
"min_distance_improvement_fraction": 0.45,
"min_lattice_improvement_fraction": 0.45,
"min_lattice_geometry_improvement_fraction": 0.45,
"max_coord_damage_rate": 0.6,
"max_distance_damage_rate": 0.6,
"max_lattice_damage_rate": 0.6,
"max_lattice_geometry_damage_rate": 0.6,
"min_valid_geometry_rate": 0.08
},
"eval_cadence": {
"light_eval_every": 2000,
"light_eval_batches": 16,
"heavy_eval_every": 75000,
"heavy_eval_batches": 512,
"policy": "Training pauses during eval. Light eval tracks health; heavy eval runs a broader science pass."
},
"resume": {
"path": "/workspace/nexa_compute/artifacts/nexa_mat/diffusion_generation/nexa_mat_diffusion_prod_fp32_b512_phase_sampler_20260512T162654Z/final_checkpoint.pt",
"checkpoint_step": 185876,
"start_step": 185876,
"model_only": false
},
"run_data_receipt": {
"path": "/workspace/nexa_compute/artifacts/nexa_mat/diffusion_generation/nexa_mat_diffusion_prod_fp32_b512_phase_sampler_20260512T162654Z/run_data_receipt.json",
"sha256": "sha256:ead80cfe8e2854514b600320e448f91a9e271935d8984799923f28861c91ba3a",
"selected_train_shards": 459,
"selected_val_shards": 261,
"train_bytes": 151050861099,
"val_bytes": 14911785258
}
}
}
|