Sebastian Pujalte

icon indicating an email [email protected]

icon company Cambridge University icon location Mathematician interested in computational drug discovery.

Results 3 issues of Sebastian Pujalte

Fixes simple error in _validate_clusterer

**Reference issues/PRs** **Types of changes** - [x] Bug fix (non-breaking change which fixes an issue) - [ ] New feature (non-breaking change which adds functionality) - [ ] Breaking change...

Distributed training and `max_recycling_iters`

I have a question regarding the number of recycling iterations used during training. In the AF2 paper they mention that the number of recycling iterations are a "shared value across...

Add option for deterministic swap order (DEO) to ``ReplicaExchangeSampler``

3 comment

## Description This PR adds the option for ``deterministic_swap_order`` to ``ReplicaExchangeSampler`` for deterministic even/odd (DEO) swap alternation when swapping between pairs of neigbours (``swap-neighbors``). When enabled, the swap offset alternates...