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_06,combined_rank01_20,loop06_rank01__eval_gen_loop_06_part037__sample_0088,no_trusted_channels,,"x,y",,/home/wkli/invdesmobility/runs/loop_07__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop06_rank01__eval_gen_loop_06_part037__sample_0088.cif,33df9247a4617b9ed86be8c839e34b088206a184,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop06_rank01__eval_gen_loop_06_part037__sample_0088/mobility_calculation | |
| loop_06,combined_rank01_20,loop06_rank02__eval_gen_loop_06_part005__sample_0829,no_trusted_channels,,"x,y",,/home/wkli/invdesmobility/runs/loop_07__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop06_rank02__eval_gen_loop_06_part005__sample_0829.cif,d4439a4690dcbef28a20432dc70685c3816c412e,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop06_rank02__eval_gen_loop_06_part005__sample_0829/mobility_calculation | |
| loop_06,combined_rank01_20,loop06_rank03__eval_gen_loop_06_part048__sample_0241,no_trusted_channels,,"x,y",,/home/wkli/invdesmobility/runs/loop_07__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop06_rank03__eval_gen_loop_06_part048__sample_0241.cif,45d3fa9a7f401a7111a0964163e321a7e5b41f90,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop06_rank03__eval_gen_loop_06_part048__sample_0241/mobility_calculation | |
| loop_06,combined_rank01_20,loop06_rank04__eval_gen_loop_06_part061__sample_0851,no_trusted_channels,,"x,y",,/home/wkli/invdesmobility/runs/loop_07__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop06_rank04__eval_gen_loop_06_part061__sample_0851.cif,306ddfd580e5f25276366f95430f1ba74ce68ba2,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop06_rank04__eval_gen_loop_06_part061__sample_0851/mobility_calculation | |
| loop_06,combined_rank01_20,loop06_rank05__eval_gen_loop_06_part054__sample_0853,no_trusted_channels,,"x,y",,/home/wkli/invdesmobility/runs/loop_07__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop06_rank05__eval_gen_loop_06_part054__sample_0853.cif,90d8084b33d93ecf9d54b03c6fe6f37501ead991,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop06_rank05__eval_gen_loop_06_part054__sample_0853/mobility_calculation | |
| loop_06,combined_rank01_20,loop06_rank09__eval_gen_loop_06_part161__sample_0357,no_trusted_channels,,"x,y",,/home/wkli/invdesmobility/runs/loop_07__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop06_rank09__eval_gen_loop_06_part161__sample_0357.cif,9320e9cee9032677c3f3d22039aeb082fab51b87,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop06_rank09__eval_gen_loop_06_part161__sample_0357/mobility_calculation | |