Protein folding is NP-hard, just like the Traveling Salesman Problem, Bin Packing, etc.
Mathematical optimization software (AKA constraint solvers) [1] have been working on ever improving algorithms for such problems for decades.
This software use algorithms such as metaheursitics (tabu search, simulated annealing, late acceptance), linear programming, constraint programming, genetic algorithms, GRASP, branch&bound, ...
The world's top constraint solvers want to help out with improving the algorithms for protein folding for COVID-19:
https://or.stackexchange.com/questions/ ... h-input-da
We want to crowd solve it (think Kaggle).
Can you help us out to get started?
What do we need?
- An input data file, with a data description. Ideally, something that looks like this: https://www.kaggle.com/c/santa-workshop-tour-2019/data but we'll take what's available
- A problem description, including a score function description (= when have we found the ideal protein). Ideally, something that looks like this: https://www.kaggle.com/c/santa-workshop ... evaluation
- An output data file description. Ideally we can send that into folding@home for verification.
[1] https://en.wikipedia.org/wiki/List_of_o ... n_software