hp lattice model
[P] A reinforcement learning environment for the protein folding problem (2-D HP Lattice Model) • r/MachineLearning
This project is cool, but it's an extreme oversimplification of protein folding. And that's fine for what it is. Folding@home attempts to simulate real biomolecular systems in atomic detail, using 3D physics-based molecular models (usually based on approximations to quantum mechanics) and Markov chain Monte Carlo sampling to search geometric/folding configurations with a simulated set of thermodynamic conditions. One could think of Folding@home simulations as a reinforcement learning problem where the reward function is the minimization of Gibbs free energy with respect to the protein's geometry/folding.