Code

Weighting the loss#60

Code

Merged

sblackburn86 merged 21 commits intomainmila-iqia/diffusion_for_multi_scale_molecular_dynamics:mainfrom weighting_the_lossmila-iqia/diffusion_for_multi_scale_molecular_dynamics:weighting_the_lossCopy head branch name to clipboardJun 18, 2024

+885-49

Commits

Commits on Jun 12, 2024

• Generate partial trajectories.

  rousseab

  committed
  ffa035c

• More permissive solver.

  rousseab

  committed
  52795bb

Commits on Jun 13, 2024

• Parameterize the solver tolerances.

  rousseab

  committed
  36ab0f0

• Move useful code to a utils module.

  rousseab

  committed
  44e673d

• Code to sample trajectories.

  rousseab

  committed
  73c974e

• Generate scores along a path.

  rousseab

  committed
  19df86d

• Updated script.

  rousseab

  committed
  24b5fe1

Commits on Jun 14, 2024

• Fixing error in x0!

  rousseab

  committed
  a827974

• Make sure the code works on mila cluster.

  rousseab

  committed
  ba24972

Commits on Jun 17, 2024

• A plotting script for scores along a path.

  rousseab

  committed
  ff411bc

• Merge branch 'main' into analysing_equivariant_score

  rousseab

  committed
  685d0c2

• Add batchnorms to difface.

  rousseab

  committed
  6fc68d8

• Weighted loss.

  rousseab

  committed
  5735d7f

• Add loss parameters to the position diffusion lightning model.

  rousseab

  committed
  5fc56b8

• Add parameters to the loss.

  rousseab

  committed
  c9e2ebc

• Update examples to show how to parameterize the loss.

  rousseab

  committed
  9e16bee

• Fix device bjork with a registered buffer.

  rousseab

  committed
  b84a4e7

• Fix device bjork

  rousseab

  committed
  60722b6

• More refined plotting of weighted loss and squared errors.

  rousseab

  committed
  3879dd7

• Close figures.

  rousseab

  committed
  487febe

• Merge remote-tracking branch 'origin/analysing_equivariant_score' into weighting_the_loss

  rousseab

  committed
  e38ea9a