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fix: remove duplicate Uni-Mol definitions Build C++ #2412: Commit 1556248 pushed by iProzd
10m 28s 0913_unimol_dpa4
0913_unimol_dpa4
10m 28s
[pre-commit.ci] auto fixes from pre-commit.com hooks Build C++ #2411: Commit c55b2b1 pushed by pre-commit-ci Bot
31m 15s 0913_unimol_dpa4
0913_unimol_dpa4
31m 15s
fix: address Uni-Mol DPA review feedback Build C++ #2410: Commit 7225471 pushed by iProzd
1m 49s 0913_unimol_dpa4
0913_unimol_dpa4
1m 49s
test(pt_expt): keep the allocator cache out of the batch-policy tests Build C++ #2409: Commit 0e01b77 pushed by iProzd
12m 43s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
12m 43s
fix(pt_expt): round the Hessian batch up when halving after OOM Build C++ #2408: Commit 38b1b28 pushed by iProzd
56m 35s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
56m 35s
fix(deps): pin warp-lang<1.18 Build C++ #2407: Commit 7340425 pushed by iProzd
7m 23s 1005_pin_warp_lang
1005_pin_warp_lang
7m 23s
fix: keep a molecule whose SMILES RDKit cannot parse Build C++ #2406: Commit d0bf9c9 pushed by iProzd
13m 28s 0913_unimol_dpa4
0913_unimol_dpa4
13m 28s
fix(pt_expt): price the Hessian batch per frame Build C++ #2405: Commit 923bed5 pushed by iProzd
6m 6s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
6m 6s
Merge the Uni-Mol core branch into the DPA4 objective Build C++ #2404: Commit 58d83dc pushed by iProzd
1h 13m 9s 0913_unimol_dpa4
0913_unimol_dpa4
1h 13m 9s
fix(pt_expt): a coordinate-independent output also yields a zero Hessian Build C++ #2403: Commit 5fed0e6 pushed by iProzd
24m 25s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
24m 25s
fix: give xp_erf a TensorFlow branch Build C++ #2402: Commit a309c88 pushed by iProzd
1h 14m 42s 0912_unimol_core
0912_unimol_core
1h 14m 42s
fix: refuse a loss term the backbone cannot feed Build C++ #2401: Commit e96a64d pushed by iProzd
1h 20m 11s 0913_unimol_dpa4
0913_unimol_dpa4
1h 20m 11s
fix(pt_expt): correct four defects in the batched Hessian route Build C++ #2400: Commit be74322 pushed by iProzd
1h 36m 25s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
1h 36m 25s
fix(pt): only translate a missing e3nn, not every import failure Build C++ #2399: Commit 73656da pushed by iProzd
12m 45s 0922_lazy_import_e3nn
0922_lazy_import_e3nn
12m 45s
docs: drop the runtime annotation, and correct what to size the cap from Build C++ #2398: Commit 950f064 pushed by iProzd
26m 50s 0922_vesin_max_pairs_guidance
0922_vesin_max_pairs_guidance
26m 50s
docs: correct which extras ship e3nn Build C++ #2397: Commit 5d3fa3a pushed by iProzd
1h 5m 33s 0922_lazy_import_e3nn
0922_lazy_import_e3nn
1h 5m 33s
fix(pt): drop the redundant dpa4 extra, keep the actionable error Build C++ #2396: Commit f08995c pushed by iProzd
42m 1s 0922_declare_dpa4_neighbor_deps
0922_declare_dpa4_neighbor_deps
42m 1s
docs: explain VESIN_CUDA_MAX_PAIRS_PER_POINT and relate it to sel Build C++ #2395: Commit 59e1f14 pushed by iProzd
9m 44s 0922_vesin_max_pairs_guidance
0922_vesin_max_pairs_guidance
9m 44s
[pre-commit.ci] auto fixes from pre-commit.com hooks Build C++ #2394: Commit ecf307d pushed by pre-commit-ci Bot
1h 18m 43s 0922_declare_dpa4_neighbor_deps
0922_declare_dpa4_neighbor_deps
1h 18m 43s
fix(pt): declare the DPA-4 neighbor-list dependency and name it on fa… Build C++ #2393: Commit de7bc7b pushed by iProzd
1m 45s 0922_declare_dpa4_neighbor_deps
0922_declare_dpa4_neighbor_deps
1m 45s
fix(pt): import e3nn lazily so it stays an optional dependency Build C++ #2392: Commit b1f6058 pushed by iProzd
40m 25s 0922_lazy_import_e3nn
0922_lazy_import_e3nn
40m 25s
test(pt_expt): skip the probe-cost test without CUDA Build C++ #2391: Commit 8c703fc pushed by iProzd
8m 19s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
8m 19s
[pre-commit.ci] auto fixes from pre-commit.com hooks Build C++ #2390: Commit 973ad0c pushed by pre-commit-ci Bot
10m 52s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
10m 52s
test(pt_expt): pin DP_HESSIAN_HVP_BATCH to the unbatched Hessian Build C++ #2389: Commit 031719f pushed by iProzd
1m 51s 0921_hessian_sparse_ad
0921_hessian_sparse_ad
1m 51s
test: cover the two review paths that had no test Build C++ #2388: Commit 4f43a33 pushed by iProzd
8m 33s 0912_unimol_core
0912_unimol_core
8m 33s