Here is collected the documentation for the additional modules contributed to PLUMED. For information on how to enable modules see List of modules.
| Module | Description | Authors | References |
| ANN (Artificial Neural Network) function | ANN (Artificial Neural Network) function | Wei Chen and Andrew Ferguson | |
| FISST (Infinite Switch Simulated Tempering in Force) | Infinite Switch Simulated Tempering in Force (FISST) | Glen Hocky | [Hartmann-FISST-2019] |
| PLUMED-ISDB | Integrative Structural and Dynamical Biology with PLUMED | Max Bonomi and Carlo Camilloni | [Bonomi:2017cc] |
| PYTORCH (Machine Learning Collective Variables) | Machine Learning Collective Variables with PyTorch (pytorch) | Luigi Bonati | [bonati2020data] |
| Logarithmic Mean Force Dynamics | Method for enhanced sampling and for free energy calculations along collective variables | Tetsuya Morishita, Naoki Watanabe | [MorishitaLogMFD] [MorishitaLogPD] [MorishitaVsLogMFD] |
| Experiment Directed Simulation | Methods for incorporating additional information about CVs into MD simulations by adaptively determined linear bias parameters | Glen Hocky, Andrew White | [white2014efficient] [hocky2017cgds] [Amirkulova2019Recent] |
| Extended-System Adaptive Biasing Force | Methods for performing eABF or DRR method to calculate PMF along CVs | Haochuan Chen, Haohao Fu | [Chen2018] [Lelievre2007] [Lesage2016] [Fu2016] |
| Variationally Enhanced Sampling (VES code) | Module that implements enhanced sampling methods based on Variationally Enhanced Sampling | Omar Valsson | [Valsson-PRL-2014] |
| MAZE | Module that implements enhanced sampling methods for ligand unbinding from protein tunnels | Jakub Rydzewski | [RydzewskiMaze] |
| OPES (On-the-fly Probability Enhanced Sampling) | On-the-fly Probability Enhanced Sampling (OPES) | Michele Invernizzi | [Invernizzi2020rethinking] [Invernizzi2020unified] |
| PIV collective variable | Permutation invariant collective variable (PIV) | S. Pipolo, F. Pietrucci | [gallet2013structural] [pipolo2017navigating] |
| S2 contact model collective variable | S2 contact model collective variable (S2CM) | Omar Valsson | [Palazzesi_s2_2017] |
| SASA collective variable | Solvent Accessible Surface Area collective variable (SASA) | Andrea Arsiccio | [Hasel1988] [Weiser1999] [Arsiccio-C-SASA-2022] [Arsiccio-T-SASA-2021] [Arsiccio-P-SASA-2021] |
| Funnel-Metadynamics (FM) | a collective variable and a bias action necessary to perform Funnel-Metadynamics on Molecular Dynamics simulations | Stefano Raniolo, Vittorio Limongelli | [limongelli2013funnel] [raniolo2020ligand] |
| Membrane Fusion | a set of collective variables that induces different steps in the MF process. | Ary Lautaro Di Bartolo, Diego Masone | [DiBartolo2022] [Hub2017] [Hub2021] [Poojari2021] |