Datasets:
Formats:
parquet
Size:
1K - 10K
ArXiv:
Tags:
materials-science
crystal-structures
graph-ml
inverse-design
mobility
density-functional-theory
License:
| round_id,round_index,batch_id,material_id,usable_channel_count,best_channel,best_mobility_cm2_vs,best_target,best_direction,best_carrier,relaxed_cif_path,relaxed_contcar_path,input_poscar_path,structure_hash,source_workdir | |
| loop_03,3,09_2d_mobility_batch,loop_03__rank_05__eval_gen_loop_03_part004__sample_0412,3,electron_y,641.8969126032692,2.8074652868190526,y,electron,/home/wkli/invdesmobility/runs/loop_04__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop_03__rank_05__eval_gen_loop_03_part004__sample_0412.cif,/home/wkli/invdesmobility/runs/loop_03__closed_loop_round/09_2d_mobility_batch/loop_03__rank_05__eval_gen_loop_03_part004__sample_0412/mobility_calculation/01_relax/CONTCAR,/home/wkli/invdesmobility/runs/loop_03__closed_loop_round/09_2d_mobility_batch/loop_03__rank_05__eval_gen_loop_03_part004__sample_0412/POSCAR,d9fb6588fb006d03f83a2436268b0d82305ef48a,/home/wkli/invdesmobility/runs/loop_03__closed_loop_round/09_2d_mobility_batch/loop_03__rank_05__eval_gen_loop_03_part004__sample_0412/mobility_calculation | |