| Package Name | Access | Summary | Updated |
|---|---|---|---|
| sire | public | An advanced molecular modelling framework. | 2025-10-31 |
| biosimspace | public | An interoperable Python framework for biomolecular simulation. | 2025-10-30 |
| openmm | public | A high performance toolkit for molecular simulation. | 2025-03-25 |
| psi4 | public | Open-Source Quantum Chemistry - an electronic structure package in C++ driven by Python | 2025-03-25 |
| kcombu_bss | public | A tool for flexible transformation of a target molecule onto a reference molecule. | 2025-03-25 |
