Package Name | Access | Summary | Updated |
---|---|---|---|
sire | public | An advanced molecular modelling framework. | 2024-10-30 |
biosimspace | public | An interoperable Python framework for biomolecular simulation. | 2024-10-29 |
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 |