Using MCMCSampler instead of MCMCMove in multistate sampler

choderalab / chiron

Differentiable Markov Chain Monte Carlo

https://github.com/choderalab/chiron/wiki

MIT License

14 stars 1 forks source link

Using MCMCSampler instead of MCMCMove in multistate sampler #22

Closed wiederm closed 6 months ago

wiederm commented 6 months ago

Description

As the title says, using the MCMCSampler, which is a sequence of composed MCMCMoves that transformed sampler states using a specific thermodynamic state, for the MultistateSampler.

Todos

Notable points that this PR has either accomplished or will accomplish.

[x] Adding MCMCSampler to MultisateSampler
[x] cleaning up tests

Status

[x] Ready to go