| Package Name | Access | Summary | Updated |
|---|---|---|---|
| jobqueues | public | Unified interface for interacting with queueing systems. | 2025-08-13 |
| pmview | public | A molecular viewer for PlayMolecule. | 2025-08-01 |
| moleculekit | public | No Summary | 2025-06-24 |
| HTMD | public | High-Throughput Molecular Dynamics package | 2025-06-18 |
| openmm | public | A high performance toolkit for molecular simulation. | 2025-05-29 |
| acemd-base | public | Base package for ACEMD with minimal dependencies for running classical MD simulations. | 2025-05-29 |
| acemd | public | ACEMD - the next generation molecular dynamic simulation software. Full package. | 2025-05-29 |
| ffevaluation | public | FFevaluation is a numba implementation of molecular forcefields | 2025-04-10 |
| acellera-atm | public | Acellera AToM - Relative Binding Free Energy (RBFE) Calculations. | 2025-04-10 |
| rdock | public | A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids | 2025-03-25 |
| fragalysis | public | No Summary | 2025-03-25 |
| ax-platform | public | Adaptive Experimentation | 2025-03-25 |
| acemanager | public | No Summary | 2025-03-25 |
| protocolinterface | public | No Summary | 2025-03-25 |
| openmm-plumed2 | public | No Summary | 2025-03-25 |
| htmd-deps | public | No Summary | 2025-03-25 |
| progress_reporter | public | Python interface for progress reporting | 2025-03-25 |
| boinc | public | No Summary | 2025-03-25 |
| match | public | No Summary | 2025-03-25 |
| acemd-platform | public | No Summary | 2025-03-25 |
| htmd-pdb2pqr | public | No Summary | 2025-03-25 |
| plumed2 | public | PLUMED is an open source library for free energy calculations in molecular systems | 2025-03-25 |
| psfgen | public | No Summary | 2025-03-25 |
| vina | public | Autodock Vina | 2025-03-25 |
| pathos | public | parallel graph management and execution in heterogeneous computing | 2023-06-16 |
