{"library":"atomate","type":"library","category":null,"description":"atomate provides pre-built, robust workflows for computational materials science, primarily leveraging the VASP code and integrating with the FireWorks workflow management system. It builds upon pymatgen, custodian, and maggma for comprehensive materials data handling and job execution. The current version is 1.1.0, with releases occurring a few times a year to add features and fix bugs.","language":"python","status":"active","version":"1.1.0","tags":["materials science","workflow automation","fireworks","VASP","DFT","pymatgen"],"last_verified":"Tue May 26","install":[{"cmd":"pip install atomate","imports":["from atomate.vasp.workflows.base import wf_static","from atomate.vasp.firetasks.run_calc import RunVaspCustodian","from pymatgen.core import Structure"]}],"homepage":"https://atomate.org","github":"https://github.com/hackingmaterials/atomate","docs":null,"changelog":null,"pypi":"https://pypi.org/project/atomate/","npm":null,"openapi_spec":null,"status_page":null,"smithery":null,"compatibility":{"summary":{"python_range":"3.10–3.9","success_rate":50,"avg_install_s":42.6,"avg_import_s":null,"wheel_type":"sdist"},"url":"https://checklist.day/v1/registry/atomate/compatibility"}}