Issues

• Use Pixi in automation

  openforcefield/yammbs-dataset-submission#113 · Filter by author mattwthompson opened on Apr 28, 2026

• Add TorsionNet500 dataset

  openforcefield/yammbs-dataset-submission#103 · Filter by author mattwthompson opened on Jan 29, 2026
  1

  

• Warnings about missing pointers

  openforcefield/yammbs-dataset-submission#94 · Filter by author mattwthompson opened on Dec 15, 2025

• Espaloma support

  openforcefield/yammbs-dataset-submission#88 · Filter by author mattwthompson opened on Nov 20, 2025
  3

• Testing YDS

  openforcefield/yammbs-dataset-submission#87 · Filter by author mattwthompson opened on Nov 19, 2025
  4

• Differences between old and new stack

  openforcefield/yammbs-dataset-submission#82 · Filter by author lilyminium opened on Nov 13, 2025
  6

  

• Use conda-lock when "exporting" environments

  openforcefield/yammbs-dataset-submission#71 · Filter by author mattwthompson opened on Oct 22, 2025
  1

• Support multiple force fields per submission

  openforcefield/yammbs-dataset-submission#61 · Filter by author mattwthompson opened on Sep 19, 2025
  1

  

• YDS usability improvements

  openforcefield/yammbs-dataset-submission#52 · Filter by author j-wags opened on Jun 1, 2025

• Have bot comment link to YDS zenodo drafts when uploads are made

  openforcefield/yammbs-dataset-submission#49 · Filter by author j-wags opened on May 15, 2025
  3

• Add input yaml and force field to YDS zenodo uploads

  openforcefield/yammbs-dataset-submission#47 · Filter by author j-wags opened on May 15, 2025
  2

• Running optimizations and torsion benchmarks in the same PR might not work

  openforcefield/yammbs-dataset-submission#21 · Filter by author mattwthompson opened on Dec 17, 2024