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inverse: describe the torus process without naming DiffCSP ALIGNN github action #134: Commit 3f30f7a pushed by knc6
7m 30s develop
develop
7m 30s
inverse: publish the models and default to csp_supercon_alex ALIGNN github action #133: Commit 46dc3fd pushed by knc6
8m 10s develop
develop
8m 10s
README: add an inverse-design section ALIGNN github action #132: Commit 7b06e7a pushed by knc6
8m 3s develop
develop
8m 3s
inverse: publish ALIGNN-CSP models to figshare and register them ALIGNN github action #131: Commit 0e20a84 pushed by knc6
8m 48s develop
develop
8m 48s
inverse: add ALIGNNGenerator, a composition + property -> structure API ALIGNN github action #130: Commit 3dc86f9 pushed by knc6
8m 48s develop
develop
8m 48s
inverse: correct ablation table with 6 models per arm ALIGNN github action #129: Commit 08213fe pushed by knc6
8m 58s develop
develop
8m 58s
Add ALIGNN-CSP: generative inverse design with the pure-torch line graph ALIGNN github action #128: Commit 91a042d pushed by knc6
9m 18s develop
develop
9m 18s
Add ALIGNN-CSP: generative inverse design with the pure-torch line graph ALIGNN github action #127: Commit 91a042d pushed by knc6
8m 47s inverse-design
inverse-design
8m 47s
Merge pull request #15 from atomgptlab/develop ALIGNN github action #126: Commit 7b31119 pushed by knc6
8m 43s main
main
8m 43s
Develop ALIGNN github action #125: Pull request #15 opened by knc6
8m 44s develop
develop
8m 44s
Update setup.py ALIGNN github action #124: Commit 628364a pushed by knc6
8m 24s develop
develop
8m 24s
Bump version to 2026.8.11 ALIGNN github action #123: Commit 9c09c21 pushed by knc6
9m 30s develop
develop
9m 30s
Rename pretrained2.py -> pretrained.py (ALIGNN 2.0 registry now canon… ALIGNN github action #122: Commit d96dd8d pushed by knc6
12m 21s develop
develop
12m 21s
Register 6 new ALIGNN 2.0 models: 5 alex-supercon kNN (Tc/dosef/debye… ALIGNN github action #121: Commit d787e10 pushed by knc6
12m 23s develop
develop
12m 23s
ZBL: auto-enable for force fields via calculate_gradient when use_zbl… ALIGNN github action #120: Commit 1ae2e09 pushed by knc6
10m 40s develop
develop
10m 40s
ZBL: guard forward(g) ZBL term with calculate_gradient so it only app… ALIGNN github action #119: Commit ac61adb pushed by knc6
11m 12s develop
develop
11m 12s
forward_tensors: match builder line graph via three_body_cutoff; add … ALIGNN github action #118: Commit 43d0c47 pushed by knc6
12m 35s develop
develop
12m 35s
Add optional ZBL short-range repulsion to alignn_atomwise_pure (LAMMP… ALIGNN github action #117: Commit e97089e pushed by knc6
9m 23s develop
develop
9m 23s
FF models: rename matpes_smooth->matpes_pbe; add matpes_r2scan (figsh… ALIGNN github action #116: Commit 3cb8978 pushed by knc6
8m 19s develop
develop
8m 19s
Merge pull request #14 from atomgptlab/develop ALIGNN github action #115: Commit 43fbfb6 pushed by knc6
9m 11s v2026.8.6
v2026.8.6
9m 11s
Merge pull request #14 from atomgptlab/develop docs #8: Commit 43fbfb6 pushed by knc6
9m 16s main
main
9m 16s
Merge pull request #14 from atomgptlab/develop ALIGNN github action #114: Commit 43fbfb6 pushed by knc6
14m 32s main
main
14m 32s
Develop ALIGNN github action #113: Pull request #14 opened by knc6
8m 31s develop
develop
8m 31s
Fix CI lint + default_path for LAMMPS/TorchScript export scripts ALIGNN github action #112: Commit b3bb1eb pushed by knc6
12m 53s develop
develop
12m 53s
train_dgl: tolerate configs without FF loss-weight fields ALIGNN github action #111: Commit d2a9102 pushed by knc6
4m 39s develop
develop
4m 39s