Datasetpublic
apodex/FrontierChallenge

FrontierChallenge FrontierChallenge provides 97 scientific workflow tasks with plaintext English instructions, inputs, Harbor definitions, domain labels, and the redistributable open runtime image. Path Contents manifest.jsonl Dataset Viewer rows with task ID, taxonomy, difficulty, runtime, and instruction tasks/<task-id>/ instruction.md, task metadata, environment definition, and agent-visible inputs images/ Verified linux/amd64 Docker archive for the 81… See the full description on the dataset page: https://huggingface.co/datasets/apodex/FrontierChallenge.
sourceHugging Facecc-by-4.0updated 2d agoView on Hugging Face
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roottask_taxonomy.json
task_taxonomy.json391 linesDownload Raw Back to root
1{2  "task_005_xrd_duplex_phase_quant": [3    "Materials Characterization",4    "Diffraction"5  ],6  "task_006_matbench_expt_gap_cleaning": [7    "Materials Characterization",8    "Thermal, mechanical & transport"9  ],10  "task_007_pxrd_indexing_cell_refinement": [11    "Materials Characterization",12    "Diffraction"13  ],14  "task_008_qpcr_primer_design": [15    "Life Science",16    "Molecular biology & assays"17  ],18  "task_009_raman_graphene_qc": [19    "Materials Characterization",20    "Spectroscopy & magnetism"21  ],22  "task_010_polarization_316l_corrosion": [23    "Electrochemistry",24    "Corrosion & electrocatalysis"25  ],26  "task_011_cell_migration_wound_healing": [27    "Life Science",28    "Quantitative imaging"29  ],30  "task_022_xrd_residual_stress": [31    "Materials Characterization",32    "Diffraction"33  ],34  "task_023_tce_dual_isotope_degradation": [35    "Analytical Chemistry",36    "Reaction, process & environment"37  ],38  "task_024_methanol_carbon_balance": [39    "Analytical Chemistry",40    "Reaction, process & environment"41  ],42  "task_025_bone_scaffold_microct": [43    "Materials Characterization",44    "Microscopy & imaging"45  ],46  "task_026_suzuki_reaction_kinetics": [47    "Analytical Chemistry",48    "Reaction, process & environment"49  ],50  "task_027_nitrosamine_lcms_nmr": [51    "Analytical Chemistry",52    "Separation & mass spectrometry"53  ],54  "task_028_photoredox_quantum_yield": [55    "Analytical Chemistry",56    "Reaction, process & environment"57  ],58  "task_029_extraction_crystallization_balance": [59    "Analytical Chemistry",60    "Reaction, process & environment"61  ],62  "task_030_disulfide_bond_ms": [63    "Analytical Chemistry",64    "Separation & mass spectrometry"65  ],66  "task_031_tofsims_deuterium_segregation": [67    "Materials Characterization",68    "Microscopy & imaging"69  ],70  "task_032_co2_capture_solvent_cycle": [71    "Analytical Chemistry",72    "Reaction, process & environment"73  ],74  "task_033_itc_proton_coupling": [75    "Analytical Chemistry",76    "Spectroscopy & quantitative analysis"77  ],78  "task_034_nrtl_vle_azeotrope": [79    "Analytical Chemistry",80    "Reaction, process & environment"81  ],82  "task_035_ebsd_austenite_reconstruction": [83    "Materials Characterization",84    "Microscopy & imaging"85  ],86  "task_036_pfg_nmr_self_association": [87    "Analytical Chemistry",88    "Spectroscopy & quantitative analysis"89  ],90  "task_037_stem_strain_mapping": [91    "Materials Characterization",92    "Microscopy & imaging"93  ],94  "task_038_hzo_pund_polarization": [95    "Electrochemistry",96    "Polarization & ferroelectrics"97  ],98  "task_039_epr_ros_pathway": [99    "Analytical Chemistry",100    "Spectroscopy & quantitative analysis"101  ],102  "task_040_mossbauer_spin_crossover": [103    "Materials Characterization",104    "Spectroscopy & magnetism"105  ],106  "task_041_chromium_speciation_lcicpms": [107    "Analytical Chemistry",108    "Separation & mass spectrometry"109  ],110  "task_042_rrde_orr_selectivity": [111    "Electrochemistry",112    "Corrosion & electrocatalysis"113  ],114  "task_043_antisolvent_crystallization": [115    "Analytical Chemistry",116    "Reaction, process & environment"117  ],118  "task_044_asymmetric_reduction_characterization": [119    "Analytical Chemistry",120    "Reaction, process & environment"121  ],122  "task_045_dic_steel_tensile": [123    "Materials Characterization",124    "Thermal, mechanical & transport"125  ],126  "task_046_lpbf_meltpool_xct": [127    "Materials Characterization",128    "Microscopy & imaging"129  ],130  "task_048_scxrd_twin_disorder": [131    "Materials Characterization",132    "Diffraction"133  ],134  "task_050_seawater_carbonate_system": [135    "Analytical Chemistry",136    "Reaction, process & environment"137  ],138  "task_051_quantum_output_substituent_effects": [139    "Quantum Chemistry",140    "Electronic structure"141  ],142  "task_052_protein_md_structure_prep": [143    "Molecular Dynamics",144    "System preparation"145  ],146  "task_053_protein_cgmd_structure_prep": [147    "Molecular Dynamics",148    "System preparation"149  ],150  "task_054_ethanol_md_properties": [151    "Molecular Dynamics",152    "Transport & bulk properties"153  ],154  "task_055_opp_c60_xtb_igm": [155    "Quantum Chemistry",156    "Electronic structure"157  ],158  "task_056_silica_melt_quench_md": [159    "Molecular Dynamics",160    "Transport & bulk properties"161  ],162  "task_057_tunel_dapi_image_ratio": [163    "Life Science",164    "Quantitative imaging"165  ],166  "task_058_ki67_hscore_imaging": [167    "Life Science",168    "Quantitative imaging"169  ],170  "task_059_alanine_dipeptide_md": [171    "Molecular Dynamics",172    "Transport & bulk properties"173  ],174  "task_060_streptavidin_biotin_md": [175    "Molecular Dynamics",176    "Transport & bulk properties"177  ],178  "task_061_mmgbsa_residue_decomposition": [179    "Molecular Dynamics",180    "Free energy"181  ],182  "task_062_hydration_free_energy_ti": [183    "Molecular Dynamics",184    "Free energy"185  ],186  "task_063_alanine_metadynamics_fes": [187    "Molecular Dynamics",188    "Enhanced sampling"189  ],190  "task_064_protein_tremd_sampling": [191    "Molecular Dynamics",192    "Enhanced sampling"193  ],194  "task_066_rnaseq_differential_expression": [195    "Life Science",196    "Genomics & transcriptomics"197  ],198  "task_067_gwas_analysis_visualization": [199    "Life Science",200    "Genomics & transcriptomics"201  ],202  "task_068_wgcna_analysis_visualization": [203    "Life Science",204    "Genomics & transcriptomics"205  ],206  "task_072_pt_co_adsorption": [207    "Quantum Chemistry",208    "QM/MM & periodic DFT"209  ],210  "task_073_ion_diffusion_lammps": [211    "Molecular Dynamics",212    "Transport & bulk properties"213  ],214  "task_075_n2_nevpt2_pes": [215    "Quantum Chemistry",216    "Electronic structure"217  ],218  "task_094_qnmr_purity_qc": [219    "Analytical Chemistry",220    "Spectroscopy & quantitative analysis"221  ],222  "task_097_dsc_kissinger_kinetics": [223    "Materials Characterization",224    "Thermal, mechanical & transport"225  ],226  "task_098_orca_claisen_thermochemistry": [227    "Quantum Chemistry",228    "Transition states & kinetics"229  ],230  "task_099_hardcarbon_gitt_diffusion": [231    "Electrochemistry",232    "Batteries & impedance"233  ],234  "task_100_tga_caco3_composition": [235    "Materials Characterization",236    "Thermal, mechanical & transport"237  ],238  "task_101_ic_anion_quantification": [239    "Analytical Chemistry",240    "Separation & mass spectrometry"241  ],242  "task_102_tlc_suzuki_endpoint": [243    "Analytical Chemistry",244    "Separation & mass spectrometry"245  ],246  "task_103_gpc_polymer_mwd": [247    "Materials Characterization",248    "Thermal, mechanical & transport"249  ],250  "task_104_aln_bn_laser_flash": [251    "Materials Characterization",252    "Thermal, mechanical & transport"253  ],254  "task_105_nmc_battery_cycling": [255    "Electrochemistry",256    "Batteries & impedance"257  ],258  "task_106_kf_solvent_moisture": [259    "Analytical Chemistry",260    "Spectroscopy & quantitative analysis"261  ],262  "task_107_aln_lfa_thermal": [263    "Materials Characterization",264    "Thermal, mechanical & transport"265  ],266  "task_108_ldh_purification": [267    "Life Science",268    "Molecular biology & assays"269  ],270  "task_109_reaction_calorimetry_safety": [271    "Analytical Chemistry",272    "Reaction, process & environment"273  ],274  "task_110_bi2te3_thermoelectric": [275    "Materials Characterization",276    "Thermal, mechanical & transport"277  ],278  "task_111_flyash_xrd_quantification": [279    "Materials Characterization",280    "Diffraction"281  ],282  "task_112_in718_creep_screening": [283    "Materials Characterization",284    "Thermal, mechanical & transport"285  ],286  "task_113_jr_curve_toughness": [287    "Materials Characterization",288    "Thermal, mechanical & transport"289  ],290  "task_114_he_tumor_infiltration": [291    "Life Science",292    "Quantitative imaging"293  ],294  "task_115_ccrcc_blind_annotation": [295    "Life Science",296    "Genomics & transcriptomics"297  ],298  "task_116_eis_equivalent_circuit_analysis": [299    "Electrochemistry",300    "Batteries & impedance"301  ],302  "task_117_cp2k_mgo_phonon": [303    "Analytical Chemistry",304    "Spectroscopy & quantitative analysis"305  ],306  "task_118_cu_al_interface_energy": [307    "Quantum Chemistry",308    "QM/MM & periodic DFT"309  ],310  "task_121_caffeine_1h_nmr": [311    "Analytical Chemistry",312    "Spectroscopy & quantitative analysis"313  ],314  "task_199_b3lyp_opt_freq_minimum": [315    "Quantum Chemistry",316    "Electronic structure"317  ],318  "task_200_b3lyp_ts_opt_freq_thermo": [319    "Quantum Chemistry",320    "Transition states & kinetics"321  ],322  "task_201_qmmm_lysozyme_benzene_min": [323    "Quantum Chemistry",324    "QM/MM & periodic DFT"325  ],326  "task_201_sn2_qmmm_pmf": [327    "Molecular Dynamics",328    "Free energy"329  ],330  "task_202_ilov_fmn_qmmm": [331    "Quantum Chemistry",332    "QM/MM & periodic DFT"333  ],334  "task_202_neb_cineb_mep_barrier": [335    "Quantum Chemistry",336    "Transition states & kinetics"337  ],338  "task_203_claisen_rearrangement_ts": [339    "Quantum Chemistry",340    "Transition states & kinetics"341  ],342  "task_203_qmmm_trypsin_link_atom": [343    "Quantum Chemistry",344    "QM/MM & periodic DFT"345  ],346  "task_204_opes_metad_alanine_fes": [347    "Molecular Dynamics",348    "Enhanced sampling"349  ],350  "task_205_umbrella_wham_nacl_pmf": [351    "Molecular Dynamics",352    "Free energy"353  ],354  "task_206_smd_jarzynski_ala10": [355    "Molecular Dynamics",356    "Free energy"357  ],358  "task_207_aimd_water_vacf": [359    "Molecular Dynamics",360    "Transport & bulk properties"361  ],362  "task_208_kie_formamide_solvation": [363    "Quantum Chemistry",364    "Transition states & kinetics"365  ],366  "task_209_oniom_claisen_barrier": [367    "Quantum Chemistry",368    "Transition states & kinetics"369  ],370  "task_210_ts_goat_irc": [371    "Quantum Chemistry",372    "Transition states & kinetics"373  ],374  "task_211_ecd_nmr_propylene_oxide": [375    "Quantum Chemistry",376    "Spectroscopy prediction"377  ],378  "task_212_ir_uvvis_benzaldehyde": [379    "Quantum Chemistry",380    "Spectroscopy prediction"381  ],382  "task_215_butadiene_active_space_transferability": [383    "Quantum Chemistry",384    "Electronic structure"385  ],386  "task_216_n2_multireference_curve_nevpt2": [387    "Quantum Chemistry",388    "Electronic structure"389  ]390}391