| Package Name | Access | Summary | Updated |
|---|---|---|---|
| sire | public | An advanced molecular modelling framework. | 2025-02-20 |
| biosimspace | public | An interoperable Python framework for biomolecular simulation. | 2025-02-19 |
| openmm | public | A high performance toolkit for molecular simulation. | 2024-08-16 |
| psi4 | public | Open-Source Quantum Chemistry - an electronic structure package in C++ driven by Python | 2024-08-07 |
| kcombu_bss | public | A tool for flexible transformation of a target molecule onto a reference molecule. | 2023-06-18 |
