Module: maze
| Description | Usage |
|---|---|
| Description of module |   |
Actions
The following actions are part of this module
| Name | Description |
|---|---|
| MAZE_LOSS | Define a coarse-grained loss function describing interactions in a |
| MAZE_MEMETIC_SAMPLING | Calculates the biasing direction along which the ligand unbinds by |
| MAZE_OPTIMIZER_BIAS | Biases the ligand along the direction calculated by the chosen MAZE_OPTIMIZER. |
| MAZE_RANDOM_ACCELERATION_MD | Performs random acceleration MD within the protein matrix. |
| MAZE_RANDOM_WALK | Fake optimizer that can be used for debugging. |
| MAZE_SIMULATED_ANNEALING | Calculates the biasing direction along which the ligand unbinds by minimizing |
| MAZE_STEERED_MD | Performs a linear unbinding along a predefined biasing direction that |