{"library":"nequip","type":"library","category":null,"description":"NequIP is an open-source Python library for building E(3)-equivariant interatomic potentials, primarily used in molecular dynamics and materials science simulations. It leverages PyTorch and e3nn for deep learning models that respect physical symmetries, enabling accurate and robust simulations. The current stable version is 0.17.1, with releases typically tied to significant feature additions or dependency updates.","language":"python","status":"active","version":"0.17.1","tags":["machine learning","molecular dynamics","materials science","deep learning","equivariant neural networks","interatomic potentials","pytorch"],"install":[{"cmd":"pip install nequip","imports":["from nequip import NequIP"]}],"homepage":null,"github":"https://github.com/mir-group/nequip","docs":"https://nequip.readthedocs.io/","changelog":null,"pypi":"https://pypi.org/project/nequip/","npm":null,"openapi_spec":null,"status_page":null,"smithery":null,"compatibility":{"summary":{"python_range":"3.10–3.9","success_rate":30,"avg_install_s":83.2,"avg_import_s":null,"wheel_type":"sdist"},"url":"https://checklist.day/v1/registry/nequip/compatibility"},"provenance":{"verified_status":"import_fail","verified_at":"Fri Jul 03","last_verified":"Fri Jul 03","next_check":"Fri Jul 10","install_tag":null}}