{"categories":[{"label":"Scientific/Engineering","url":"https://skillfed.io/packages/category/scientific-engineering/8"}],"enrichment":{"capability":"lammps provides pre-built Python bindings to the LAMMPS molecular dynamics simulator, enabling molecular simulations via Python API or command-line interface across Linux, macOS, and Windows.","skillfed_tags":["molecular-dynamics","scientific-computing","mpi-enabled"],"use_cases":["Run molecular dynamics simulations from Python scripts without compiling LAMMPS from source","Integrate LAMMPS simulations into larger Python workflows for materials science or chemistry research","Develop and test custom LAMMPS plugins using the entry-point registration system","Perform quick exploratory simulations via the PyLammps API for educational or prototyping purposes","Deploy LAMMPS-based applications across multiple platforms using pre-built wheels"],"what_it_does":"lammps is an unofficial Python package that distributes pre-compiled wheels of the LAMMPS molecular dynamics engine. It allows researchers and developers to run molecular simulations directly from Python code or via command-line tools without building LAMMPS from source. The package bundles LAMMPS with most packages enabled and provides both a high-level PyLammps API for Python and a command-line interface (lmp). It supports plugin registration through entry points, allowing developers to extend functionality with custom plugins built against the same MPI version.\n\nThe package targets modern Python (3.7+) and is available for Linux (glibc >= 2.28), macOS (>= 11), and Windows. MPI support is included but requires matching the MPI version used in the wheel (MPICH on Unix-like systems, Microsoft MPI on Windows). Installation is straightforward via pip, with an optional [mpi] extra for systems without MPI pre-installed.","worth_installing":"Yes, if you need LAMMPS for molecular dynamics work and want to avoid source compilation. The package is actively maintained, has no known vulnerabilities, and provides convenient pre-built wheels across major platforms. However, verify that the GPLv2 copyleft license is compatible with your project's licensing requirements, and confirm that the wheel's MPI version (MPICH or Microsoft MPI) matches your system setup."},"id":"lammps","links":{"html":"https://skillfed.io/packages/lammps","md":"https://skillfed.io/packages/lammps.md","pypi":"https://pypi.org/project/lammps/"},"maintenance":{"status":"active"},"meta":{"latest_release":"2026-04-19","license_spdx":null,"license_treatment":"copyleft","name":"lammps","python_support":"supports_current","summary":"unoffical LAMMPS Molecular Dynamics Python package"},"popularity":{"monthly_downloads":83739,"position":14050,"tier":"top_15000"},"security":{"n_vulnerabilities":0},"version":"2025.7.22.4.0"}