Issues

• Altloc selection union duplicates the CSV selection field

  prism-science/sampleworks#519 · Filter by author smallfishabc opened on Oct 24, 2026

• Write a provenance sidecar JSON beside each synthetic SF MTZ

  prism-science/sampleworks#502 · Filter by author DorisMai opened on Oct 22, 2026
  

• find_consecutive_residues dropping single alternative residues

  prism-science/sampleworks#501 · Filter by author smallfishabc opened on Oct 21, 2026
  

• Reward contract tests for multiple conformations

  prism-science/sampleworks#495 · Filter by author mewall opened on Oct 20, 2026

• Separate setups for the Bragg and diffuse terms: supercell models and fractional-hkl diffuse targets

  prism-science/sampleworks#493 · Filter by author mewall opened on Oct 20, 2026

• Tortoize analysis

  prism-science/sampleworks#492 · Filter by author ASRauh opened on Oct 20, 2026

• Geometry evaluation with heavy atoms

  prism-science/sampleworks#491 · Filter by author ASRauh opened on Oct 20, 2026

• Logging for analysis scripts

  prism-science/sampleworks#490 · Filter by author ASRauh opened on Oct 19, 2026
  1

• CIF Patching issues - potentially solved with PR #414

  prism-science/sampleworks#489 · Filter by author ASRauh opened on Oct 19, 2026

• fix: make AtomReconciler automatically detect missing residues when the input CIF has sequence info

  prism-science/sampleworks#488 · Filter by author k-chrispens opened on Oct 19, 2026

• Per-residue altloc occupancies

  prism-science/sampleworks#487 · Filter by author ASRauh opened on Oct 19, 2026
  1

• feat: allow carrying CIF categories from user defined reference CIF file

  CIF issuesenhancement
  Feature

  prism-science/sampleworks#486 · Filter by author k-chrispens opened on Oct 19, 2026

• Drop unused unique_combinations / inverse_indices from the reward protocol

  prism-science/sampleworks#484 · Filter by author mewall opened on Oct 17, 2026

• Allow for non-uniform weights in diffuse guidance

  prism-science/sampleworks#483 · Filter by author mewall opened on Oct 17, 2026

• Use sigmas in reciprocal space target

  prism-science/sampleworks#482 · Filter by author mewall opened on Oct 17, 2026

• Assess use of reciprocalspaceship in structure factor code paths

  prism-science/sampleworks#481 · Filter by author mewall opened on Oct 16, 2026

• Deposit a reference .mtz and use to test structure factor calculations

  prism-science/sampleworks#476 · Filter by author mewall opened on Oct 15, 2026

• Integration tests to check structure factor values

  prism-science/sampleworks#468 · Filter by author DorisMai opened on Oct 15, 2026
  

• combine synthetic sf generation scripts

  prism-science/sampleworks#467 · Filter by author DorisMai opened on Oct 15, 2026
  

• Wire gemmi's electron scattering table (C4322) into setup_scattering_params

  P1
  prism-science/sampleworks#466 · Filter by author mewall opened on Oct 14, 2026

• refactor(synthetic): put shared synthetic data generator options into a config dataclass

  engineeringenhancement
  prism-science/sampleworks#463 · Filter by author DorisMai opened on Oct 14, 2026

• support any registered reward in run_grid_search.py

  engineering
  prism-science/sampleworks#462 · Filter by author DorisMai opened on Oct 14, 2026
  

• docs: deploy a Sphinx documentation site to GitHub Pages

  prism-science/sampleworks#460 · Filter by author smallfishabc opened on Oct 13, 2026

• feat: implement BoltzPerturb style token conditioning noising to increase diversity

  design doc needed
  prism-science/sampleworks#455 · Filter by author k-chrispens opened on Oct 12, 2026

• feat: add untangle challenge wE as a loss function

  design doc neededenhancement
  prism-science/sampleworks#454 · Filter by author k-chrispens opened on Oct 12, 2026