All pull requests

Pull requests

• docs: README fix to include gradient normalization flag

  #518·k-chrispens opened Oct 24, 2026Collaborator·

  ·
  2

• refactor(synthetic)!: merge the SFcalculator SF scripts into generate_synthetic_sf_sfc

  #517·DorisMai opened Oct 24, 2026Collaborator·

  ·
  1

  3

• test(frame-transforms): check rigid align on 3D clouds, mirrors and masks

  #516·k-chrispens opened Oct 24, 2026Collaborator·

  ·
  2

• test(utils): pin chain and atom pairing in atom reconciliation tests

  #515·k-chrispens opened Oct 24, 2026Collaborator·

  ·
  2

• test(utils): round-trip save_everything output against final_state

  #514·k-chrispens opened Oct 24, 2026Collaborator·

  ·
  2

• test(losses): improved composite loss tests without mocks

  #513·k-chrispens opened Oct 23, 2026Collaborator·

  ·
  2

• test(metrics): check best-of-N RMSDs on a multi-model ensemble

  #512·k-chrispens opened Oct 23, 2026Collaborator·

  ·
  2

• chore(scripts): remove scripts/1vme/ duplicate test fixtures

  #511·k-chrispens opened Oct 23, 2026Collaborator·

  ·
  1

  2

• test(metrics): score lDDT models against their own ground truth and mask

  #510·k-chrispens opened Oct 23, 2026Collaborator·

  ·
  2

• test(cli): make --loss-config rejection tests fail for the right reason

  #509·k-chrispens opened Oct 23, 2026Collaborator·

  ·
  2

• refactor(utils): move covalent_radius into the per-element lookup module

  #508·k-chrispens opened Oct 23, 2026Collaborator·

  ·
  1

  2

• fix(eval): read the input's numbering from the author columns of refined.cif

  #507·rtviii opened Oct 23, 2026Contributor·

  ·
  15

• feat(grid-search): sweep any registered reward from run_grid_search.py

  #505·xraymemory opened Oct 22, 2026Collaborator·

  ·
  1

  21

• fix(utils): keep single altloc residue in find_consecutive_residues.

  #503·smallfishabc opened Oct 22, 2026Contributor·

  ·
  1

  13

• docs: add a Sphinx documentation build and Pages deploy

  #461·smallfishabc opened Oct 13, 2026Contributor·

  ·
  13

• feat(it-opt): extend latent optimization to Boltz1, Boltz2 and RF3

  #442·smallfishabc opened Oct 5, 2026Contributor·8 tasks done·

  ·
  7

• feat(samplers): add Chroma-style annealed Langevin SDE sampler

  #428·Chen-Suyi opened Sep 30, 2026·

  ·
  30