jablonkagroup/corral-environment-tasks huggingface dataset:
Task: Complete CO2 Adsorption on Silicon Slab Workflow
Environment: catalyst (level_1 task)
Description: Create a CO2 adsorbed structure on a Silicon slab. Submit the path to the final combined structure CIF file.
Allowed tools: get_structure_from_mp_text, enumerate_slabs_text, choose_slab_text, get_adsorption_sites_text, choose_adsorption_site_text, add_adsorbate_to_slab_text
Submission format: path to cif file (eg. slab_with_co2.cif)
Task: Complete CO2 Adsorption on TiO2 Slab Workflow
Environment: catalyst (level_1 task)
Description: Create a CO2 adsorbed structure on a Titanium dioxide slab. Submit the path to the final combined structure CIF file.
Allowed tools: get_structure_from_mp_text, enumerate_slabs_text, choose_slab_text, get_adsorption_sites_text, choose_adsorption_site_text, add_adsorbate_to_slab_text
Submission format: path to cif file (eg. slab_with_co2.cif)
Task: Complete CO2 Adsorption on Cuprous Oxide Slab Workflow
Environment: catalyst (level_1 task)
Description: Create a CO2 adsorbed structure on a Cuprous Oxide slab. Submit the path to the final combined structure CIF file.
Allowed tools: get_structure_from_mp_text, enumerate_slabs_text, choose_slab_text, get_adsorption_sites_text, choose_adsorption_site_text, add_adsorbate_to_slab_text
Submission format: path to cif file (eg. slab_with_co2.cif)