ALIGNN github action

Workflow runs for ALIGNN github action

• Merge pull request #15 from atomgptlab/develop

  completed successfully:
  ALIGNN github action#138:Commit7b31119pushedbyknc6
  v2026.8.11

  Sep 18, 20268m 11s
  More actions for workflow run 138

• README: sync Performances to ALIGNN 2.0 paper/leaderboard

  completed successfully:
  ALIGNN github action#137:Commit5a19109pushedbyknc6
  develop

  Sep 4, 202624m 18s
  More actions for workflow run 137

• Merge PR #16: explicit bond-angle diffusion with continuous triplet t…

  completed successfully:
  ALIGNN github action#136:Commit72d355bpushedbyknc6
  develop

  Sep 1, 202614m 30s
  More actions for workflow run 136

• inverse: explicit bond-angle diffusion with continuous triplet topology

  completed successfully:
  ALIGNN github action#135:Pull request#16openedbycrhysc
  crhysc:angle-diffusion

  Aug 29, 20268m 31s
  More actions for workflow run 135

• inverse: describe the torus process without naming DiffCSP

  completed successfully:
  ALIGNN github action#134:Commit3f30f7apushedbyknc6
  develop

  Aug 24, 20267m 30s
  More actions for workflow run 134

• inverse: publish the models and default to csp_supercon_alex

  completed successfully:
  ALIGNN github action#133:Commit46dc3fdpushedbyknc6
  develop

  Aug 24, 20268m 10s
  More actions for workflow run 133

• README: add an inverse-design section

  completed successfully:
  ALIGNN github action#132:Commit7b06e7apushedbyknc6
  develop

  Aug 24, 20268m 3s
  More actions for workflow run 132

• inverse: publish ALIGNN-CSP models to figshare and register them

  completed successfully:
  ALIGNN github action#131:Commit0e20a84pushedbyknc6
  develop

  Aug 23, 20268m 48s
  More actions for workflow run 131

• inverse: add ALIGNNGenerator, a composition + property -> structure API

  completed successfully:
  ALIGNN github action#130:Commit3dc86f9pushedbyknc6
  develop

  Aug 23, 20268m 48s
  More actions for workflow run 130

• inverse: correct ablation table with 6 models per arm

  completed successfully:
  ALIGNN github action#129:Commit08213fepushedbyknc6
  develop

  Aug 21, 20268m 58s
  More actions for workflow run 129

• Add ALIGNN-CSP: generative inverse design with the pure-torch line graph

  completed successfully:
  ALIGNN github action#128:Commit91a042dpushedbyknc6
  develop

  Aug 20, 20269m 18s
  More actions for workflow run 128

• Add ALIGNN-CSP: generative inverse design with the pure-torch line graph

  completed successfully:
  ALIGNN github action#127:Commit91a042dpushedbyknc6
  inverse-design

  Aug 20, 20268m 47s
  More actions for workflow run 127

• Merge pull request #15 from atomgptlab/develop

  completed successfully:
  ALIGNN github action#126:Commit7b31119pushedbyknc6
  main

  Aug 14, 20268m 43s
  More actions for workflow run 126

• Develop

  completed successfully:
  ALIGNN github action#125:Pull request#15openedbyknc6
  develop

  Aug 14, 20268m 44s
  More actions for workflow run 125

• Update setup.py

  completed successfully:
  ALIGNN github action#124:Commit628364apushedbyknc6
  develop

  Aug 14, 20268m 24s
  More actions for workflow run 124

• Bump version to 2026.8.11

  completed successfully:
  ALIGNN github action#123:Commit9c09c21pushedbyknc6
  develop

  Aug 12, 20269m 30s
  More actions for workflow run 123

• Rename pretrained2.py -> pretrained.py (ALIGNN 2.0 registry now canon…

  completed successfully:
  ALIGNN github action#122:Commitd96dd8dpushedbyknc6
  develop

  Aug 12, 202612m 21s
  More actions for workflow run 122

• Register 6 new ALIGNN 2.0 models: 5 alex-supercon kNN (Tc/dosef/debye…

  completed successfully:
  ALIGNN github action#121:Commitd787e10pushedbyknc6
  develop

  Aug 12, 202612m 23s
  More actions for workflow run 121

• ZBL: auto-enable for force fields via calculate_gradient when use_zbl…

  completed successfully:
  ALIGNN github action#120:Commit1ae2e09pushedbyknc6
  develop

  Aug 10, 202610m 40s
  More actions for workflow run 120

• ZBL: guard forward(g) ZBL term with calculate_gradient so it only app…

  completed successfully:
  ALIGNN github action#119:Commitac61adbpushedbyknc6
  develop

  Aug 10, 202611m 12s
  More actions for workflow run 119

• forward_tensors: match builder line graph via three_body_cutoff; add …

  completed successfully:
  ALIGNN github action#118:Commit43d0c47pushedbyknc6
  develop

  Aug 9, 202612m 35s
  More actions for workflow run 118

• Add optional ZBL short-range repulsion to alignn_atomwise_pure (LAMMP…

  completed successfully:
  ALIGNN github action#117:Commite97089epushedbyknc6
  develop

  Aug 9, 20269m 23s
  More actions for workflow run 117

• FF models: rename matpes_smooth->matpes_pbe; add matpes_r2scan (figsh…

  completed successfully:
  ALIGNN github action#116:Commit3cb8978pushedbyknc6
  develop

  Aug 8, 20268m 19s
  More actions for workflow run 116

• Merge pull request #14 from atomgptlab/develop

  completed successfully:
  ALIGNN github action#115:Commit43fbfb6pushedbyknc6
  v2026.8.6

  Aug 6, 20269m 11s
  More actions for workflow run 115

• Merge pull request #14 from atomgptlab/develop

  completed successfully:
  ALIGNN github action#114:Commit43fbfb6pushedbyknc6
  main

  Aug 6, 202614m 32s
  More actions for workflow run 114