{"package":"atomate2","ecosystem":"pypi","latest_version":"0.1.2","description":"atomate2 is a library of materials science workflows","license":"BSD-3-Clause-LBNL","license_risk":"unknown","commercial_use_notes":"verify manually — license not parseable / not declared.","homepage":"https://pypi.org/project/atomate2/","repository":"","downloads_weekly":7010,"health":{"score":68,"risk":"moderate","breakdown":{"maintenance":25,"popularity":6,"security":25,"maturity":12,"community":0},"deprecated":false,"max_score":100},"vulnerabilities":{"count":0,"critical":0,"high":0,"medium":0,"low":0,"details":[]},"versions":{"latest":"0.1.2","total_count":27,"recent":["0.0.8","0.0.9","0.0.10","0.0.11","0.0.12","0.0.13","0.0.14","0.0.15","0.0.16","0.0.17","0.0.18","0.0.19","0.0.20","0.0.21","0.0.22rc1","0.0.22","0.0.23","0.1.0","0.1.1","0.1.2"]},"metadata":{"deprecated":false,"deprecated_message":null,"maintainers_count":0,"first_published":null,"last_published":"2026-04-25T00:03:44.609635Z","dependencies_count":70,"dependencies":["PyYAML","click","custodian>=2024.4.18","emmet-core>=0.86.1","jobflow>=0.1.11","monty>=2024.12.10","numpy","pydantic-settings>=2.0.3","pydantic>=2.0.1","pymatgen>=2024.11.13","pymongo<=4.16.0","abipy>=0.9.3; extra == \"abinit\"","netCDF4<1.7.5; extra == \"abinit\"","pymatgen-io-aims>=0.0.5; extra == \"aims\"","pymatgen>=2025.10.7; extra == \"aims\"","amset>=0.4.15; extra == \"amset\"","pydash; extra == \"amset\"","cclib>=1.8.1; extra == \"cclib\"","mp-api>=0.37.5; extra == \"mp\"","phonopy>=2.43.6; extra == \"phonons\"","seekpath>=2.0.0; extra == \"phonons\"","ijson>=3.2.2; extra == \"lobster\"","lobsterpy>=0.6.0; extra == \"lobster\"","dscribe>=1.2.0; extra == \"defects\"","pymatgen-analysis-defects>=2024.5.11; extra == \"defects\"","python-ulid>=2.7; extra == \"defects\"","ase>=3.26.0; extra == \"ase\"","tblite>=0.3.0; platform_system == \"Linux\" and extra == \"ase-ext\"","chgnet>=0.3.8; extra == \"forcefields-demo\"","atomate2[ase]; extra == \"forcefields-demo\"","torch-sim-atomistic==0.5.0; python_version >= \"3.12\" and extra == \"torchsim\"","pymatgen==2026.3.23; extra == \"jdftx\"","pymatgen-analysis-diffusion>=2024.7.15; extra == \"approxneb\"","mdanalysis>=2.8.0; extra == \"openmm\"","openmm-mdanalysis-reporter>=0.1.0; extra == \"openmm\"","openmm>=8.1.0; extra == \"openmm\"","fireworks==2.1.3; extra == \"fireworks\"","mdanalysis==2.10.0; extra == \"strict-openff\"","monty==2026.2.18; extra == \"strict-openff\"","openmm-mdanalysis-reporter==0.1.0; extra == \"strict-openff\"","openmm==8.5.1; extra == \"strict-openff\"","pymatgen==2026.3.23; extra == \"strict-openff\"","calorine==3.3; python_version >= \"3.12\" and extra == \"strict-forcefields-generic\"","calorine==3.1; python_version < \"3.12\" and extra == \"strict-forcefields-generic\"","chgnet==0.4.2; extra == \"strict-forcefields-generic\"","quippy-ase==0.10.2; extra == \"strict-forcefields-generic\"","sevenn==0.12.1; extra == \"strict-forcefields-generic\"","deepmd-kit==3.1.3; extra == \"strict-forcefields-generic\"","tensorflow-cpu==2.21.0; sys_platform == \"linux\" and extra == \"strict-forcefields-generic\"","tensorflow==2.21.0; (sys_platform == \"darwin\" or sys_platform == \"win32\") and extra == \"strict-forcefields-generic\"","mattersim==1.2.2; extra == \"strict-forcefields-generic\"","ase<3.29.0; extra == \"strict-forcefields-generic\"","wandb>=0.24.0; extra == \"strict-forcefields-generic\"","upet>=0.2.1; extra == \"strict-forcefields-generic\"","matgl==2.1.1; extra == \"strict-forcefields-torch-limited\"","dgl==2.2.0; (sys_platform == \"darwin\" or sys_platform == \"win32\") and extra == \"strict-forcefields-torch-limited\"","dgl<=2.4.0; sys_platform == \"linux\" and extra == \"strict-forcefields-torch-limited\"","torch==2.11.0; (sys_platform == \"darwin\" or sys_platform == \"win32\") and extra == \"strict-forcefields-torch-limited\"","torch==2.2.0; sys_platform == \"linux\" and extra == \"strict-forcefields-torch-limited\"","torchdata==0.7.1; extra == \"strict-forcefields-torch-limited\"","nequip==0.17.1; extra == \"strict-forcefields-torch-limited\"","numpy==1.26.4; extra == \"strict-forcefields-torch-limited\"","mace-torch==0.3.15; extra == \"strict-forcefields-e3nn-limited\"","torch-dftd==0.5.3; extra == \"strict-forcefields-e3nn-limited\"","nequip-allegro==0.8.2; extra == \"strict-forcefields-numpy-limited\"","numpy==1.26.4; extra == \"strict-forcefields-numpy-limited\"","atomate2[ase,ase-ext,cclib,defects,lobster,mp,openmm,phonons]; extra == \"strict\"","numpy<3.0; extra == \"strict\"","numba>=0.60.0; extra == \"strict\"","pymatgen==2026.3.23; extra == \"strict\""]},"github_stats":null,"bundle":null,"typescript":null,"known_issues":{"bugs_count":0,"bugs_severity":{},"status_breakdown":{},"link":null,"scope":"none"},"historical_compromise":null,"recommendation":{"action":"safe_to_use","issues":[],"use_version":"0.1.2","version_hint":null,"summary":"atomate2@0.1.2 is safe to use (health: 68/100)"},"version_scoped":null,"requested_version":null,"_cache":"hit","_response_ms":0,"_powered_by":"depscope.dev — free package intelligence for AI agents","typosquat":{"is_suspected":false},"maintainer_trust":{"available":false},"malicious":{"is_malicious":false},"scorecard":{"available":false},"quality":{"available":false},"version_history_summary":{"total_versions":20,"first_release_age_days":null,"last_release_days_ago":4,"avg_days_between_releases":null,"release_velocity":"active"}}