Datasets:
Formats:
parquet
Size:
1K - 10K
ArXiv:
Tags:
materials-science
crystal-structures
graph-ml
inverse-design
mobility
density-functional-theory
License:
| round_id,batch_id,material_id,reason,failed_stages,accepted_channels,rejected_channels,relaxed_cif_path,structure_hash,workdir | |
| loop_03,09_2d_mobility_batch,loop_03__rank_01__eval_gen_loop_03_part002__sample_0333,no_trusted_channels,,,"x,y",/home/wkli/invdesmobility/runs/loop_04__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop_03__rank_01__eval_gen_loop_03_part002__sample_0333.cif,0a2d87acce999db7d2ba3aebe77e88f3d2c14b36,/home/wkli/invdesmobility/runs/loop_03__closed_loop_round/09_2d_mobility_batch/loop_03__rank_01__eval_gen_loop_03_part002__sample_0333/mobility_calculation | |
| loop_03,09_2d_mobility_batch,loop_03__rank_02__eval_gen_loop_03_part057__sample_0058,no_trusted_channels,,,"x,y",/home/wkli/invdesmobility/runs/loop_04__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop_03__rank_02__eval_gen_loop_03_part057__sample_0058.cif,ec97741cf4151170da271ccba731622153ad9296,/home/wkli/invdesmobility/runs/loop_03__closed_loop_round/09_2d_mobility_batch/loop_03__rank_02__eval_gen_loop_03_part057__sample_0058/mobility_calculation | |
| loop_03,09_2d_mobility_batch,loop_03__rank_03__eval_gen_loop_03_part003__sample_0792,no_trusted_channels,,,"x,y",/home/wkli/invdesmobility/runs/loop_04__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop_03__rank_03__eval_gen_loop_03_part003__sample_0792.cif,ef310fea2a0452f9776039c18a70bdbd3f147a3f,/home/wkli/invdesmobility/runs/loop_03__closed_loop_round/09_2d_mobility_batch/loop_03__rank_03__eval_gen_loop_03_part003__sample_0792/mobility_calculation | |
| loop_03,09_2d_mobility_batch,loop_03__rank_04__eval_gen_loop_03_part002__sample_0733,no_trusted_channels,,,"x,y",/home/wkli/invdesmobility/runs/loop_04__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop_03__rank_04__eval_gen_loop_03_part002__sample_0733.cif,d89a9e42f26518018d7fd93e3da6c72f34273e37,/home/wkli/invdesmobility/runs/loop_03__closed_loop_round/09_2d_mobility_batch/loop_03__rank_04__eval_gen_loop_03_part002__sample_0733/mobility_calculation | |
| loop_03,09_2d_mobility_batch,loop_03__rank_06__eval_gen_loop_03_part023__sample_0359,no_trusted_channels,,,"x,y",/home/wkli/invdesmobility/runs/loop_04__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop_03__rank_06__eval_gen_loop_03_part023__sample_0359.cif,7a4fc931ea63225894cba7c05431862acaff45a5,/home/wkli/invdesmobility/runs/loop_03__closed_loop_round/09_2d_mobility_batch/loop_03__rank_06__eval_gen_loop_03_part023__sample_0359/mobility_calculation | |