| Package Name | Access | Summary | Updated |
|---|---|---|---|
| mdtraj | public | A modern, open library for the analysis of molecular dynamics trajectories | 2025-03-25 |
| plumed | public | Free energy calculations in molecular systems | 2025-03-25 |
| openmm | public | A high performance toolkit for molecular simulation. | 2025-03-25 |
| pulp | public | PuLP is an LP modeler written in python. PuLP can generate MPS or LP files and call GLPK, COIN CLP/CBC, CPLEX, and GUROBI to solve linear problems. | 2025-03-25 |
| openbabel | public | A chemical toolbox designed to speak the many languages of chemical data | 2025-03-25 |
| turbovnc | public | No Summary | 2025-03-25 |
