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fix: remove duplicate Uni-Mol definitions CodeQL #2215: Commit 1556248 pushed by iProzd
29m 5s 0913_unimol_dpa4
0913_unimol_dpa4
29m 5s
[pre-commit.ci] auto fixes from pre-commit.com hooks CodeQL #2214: Commit c55b2b1 pushed by pre-commit-ci Bot
28m 23s 0913_unimol_dpa4
0913_unimol_dpa4
28m 23s
fix: address Uni-Mol DPA review feedback CodeQL #2213: Commit 7225471 pushed by iProzd
1m 40s 0913_unimol_dpa4
0913_unimol_dpa4
1m 40s
test(pt_expt): keep the allocator cache out of the batch-policy tests CodeQL #2212: Commit 0e01b77 pushed by iProzd
28m 39s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
28m 39s
CodeQL CodeQL #2211: Scheduled
22m 13s master
master
22m 13s
fix(pt_expt): round the Hessian batch up when halving after OOM CodeQL #2210: Commit 38b1b28 pushed by iProzd
29m 1s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
29m 1s
fix(deps): pin warp-lang<1.18 CodeQL #2209: Commit 7340425 pushed by iProzd
28m 30s 1005_pin_warp_lang
1005_pin_warp_lang
28m 30s
fix: keep a molecule whose SMILES RDKit cannot parse CodeQL #2208: Commit d0bf9c9 pushed by iProzd
33m 7s 0913_unimol_dpa4
0913_unimol_dpa4
33m 7s
CodeQL CodeQL #2207: Scheduled
24m 18s master
master
24m 18s
fix(pt_expt): price the Hessian batch per frame CodeQL #2206: Commit 923bed5 pushed by iProzd
28m 35s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
28m 35s
Merge the Uni-Mol core branch into the DPA4 objective CodeQL #2205: Commit 58d83dc pushed by iProzd
34m 18s 0913_unimol_dpa4
0913_unimol_dpa4
34m 18s
fix(pt_expt): a coordinate-independent output also yields a zero Hessian CodeQL #2204: Commit 5fed0e6 pushed by iProzd
1h 37m 24s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
1h 37m 24s
CodeQL CodeQL #2203: Scheduled
34m 44s master
master
34m 44s
fix: give xp_erf a TensorFlow branch CodeQL #2202: Commit a309c88 pushed by iProzd
1h 19m 22s 0912_unimol_core
0912_unimol_core
1h 19m 22s
fix: refuse a loss term the backbone cannot feed CodeQL #2201: Commit e96a64d pushed by iProzd
1h 11m 4s 0913_unimol_dpa4
0913_unimol_dpa4
1h 11m 4s
fix(pt_expt): correct four defects in the batched Hessian route CodeQL #2200: Commit be74322 pushed by iProzd
1h 43m 0s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
1h 43m 0s
fix(pt): only translate a missing e3nn, not every import failure CodeQL #2199: Commit 73656da pushed by iProzd
36m 21s 0922_lazy_import_e3nn
0922_lazy_import_e3nn
36m 21s
docs: drop the runtime annotation, and correct what to size the cap from CodeQL #2198: Commit 950f064 pushed by iProzd
36m 2s 0922_vesin_max_pairs_guidance
0922_vesin_max_pairs_guidance
36m 2s
docs: correct which extras ship e3nn CodeQL #2197: Commit 5d3fa3a pushed by iProzd
38m 41s 0922_lazy_import_e3nn
0922_lazy_import_e3nn
38m 41s
fix(pt): drop the redundant dpa4 extra, keep the actionable error CodeQL #2196: Commit f08995c pushed by iProzd
32m 55s 0922_declare_dpa4_neighbor_deps
0922_declare_dpa4_neighbor_deps
32m 55s
docs: explain VESIN_CUDA_MAX_PAIRS_PER_POINT and relate it to sel CodeQL #2195: Commit 59e1f14 pushed by iProzd
28m 58s 0922_vesin_max_pairs_guidance
0922_vesin_max_pairs_guidance
28m 58s
[pre-commit.ci] auto fixes from pre-commit.com hooks CodeQL #2194: Commit ecf307d pushed by pre-commit-ci Bot
55m 3s 0922_declare_dpa4_neighbor_deps
0922_declare_dpa4_neighbor_deps
55m 3s
fix(pt): declare the DPA-4 neighbor-list dependency and name it on fa… CodeQL #2193: Commit de7bc7b pushed by iProzd
1m 9s 0922_declare_dpa4_neighbor_deps
0922_declare_dpa4_neighbor_deps
1m 9s
fix(pt): import e3nn lazily so it stays an optional dependency CodeQL #2192: Commit b1f6058 pushed by iProzd
53m 44s 0922_lazy_import_e3nn
0922_lazy_import_e3nn
53m 44s
test(pt_expt): skip the probe-cost test without CUDA CodeQL #2191: Commit 8c703fc pushed by iProzd
28m 9s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
28m 9s