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fix nequip-train edge case with no train run type
Check coding style #369: Commit c8d8fc5 pushed by cw-tan
January 3, 2025 16:46 17s develop
January 3, 2025 16:46 17s
Add Pytorch Profiler
Check coding style #364: Pull request #473 synchronize by frobnitzem
December 11, 2024 17:37 21s frobnitzem:profiler
December 11, 2024 17:37 21s
refactor dev docs and add dtype details during model building
Check coding style #362: Commit 1c2295c pushed by cw-tan
December 10, 2024 15:30 32s develop
December 10, 2024 15:30 32s
Minor docs fix for math rendering
Check coding style #361: Commit 96d4f50 pushed by cw-tan
November 28, 2024 04:07 16s develop
November 28, 2024 04:07 16s
revamp model_dtype system
Check coding style #360: Commit ece09b5 pushed by cw-tan
November 25, 2024 04:04 18s develop
November 25, 2024 04:04 18s
Convert listconfig to list before adding to get total include_key
Check coding style #359: Commit f131ae1 pushed by cw-tan
November 18, 2024 23:02 1m 27s develop
November 18, 2024 23:02 1m 27s
make lightning module get world size from trainer
Check coding style #358: Commit da321ec pushed by cw-tan
November 16, 2024 21:34 16s develop
November 16, 2024 21:34 16s
Update README.md
Check coding style #357: Commit 1e150cd pushed by Linux-cpp-lisp
November 14, 2024 08:44 18s main
November 14, 2024 08:44 18s
Update README.md
Check coding style #356: Pull request #469 opened by Linux-cpp-lisp
November 14, 2024 08:42 23s update-readme
November 14, 2024 08:42 23s
remove ALL_ENERGY_KEYS
Check coding style #355: Commit 7d04b9a pushed by cw-tan
October 25, 2024 05:53 15s develop
October 25, 2024 05:53 15s
update docs
Check coding style #354: Commit f7f2733 pushed by cw-tan
October 24, 2024 22:36 17s develop
October 24, 2024 22:36 17s
remove ase dependence from nn modules
Check coding style #353: Commit 9ec3289 pushed by cw-tan
October 23, 2024 00:21 25s develop
October 23, 2024 00:21 25s
clean up rescale
Check coding style #352: Commit 70daf0e pushed by cw-tan
October 22, 2024 04:10 20s develop
October 22, 2024 04:10 20s
log model details in NequIPLightningModule under DEBUG mode control…
Check coding style #351: Commit 1ea9077 pushed by cw-tan
October 21, 2024 20:25 16s develop
October 21, 2024 20:25 16s
Merge pull request #467 from mir-group/versioncheck
Check coding style #350: Commit 1d672a7 pushed by anjohan
October 21, 2024 20:13 20s main
October 21, 2024 20:13 20s
support +cpu etc versions, should fix #459
Check coding style #349: Pull request #467 opened by anjohan
October 21, 2024 19:51 20s versioncheck
October 21, 2024 19:51 20s
remove monkeypatch.py example
Check coding style #348: Commit 9f75d27 pushed by cw-tan
October 19, 2024 15:02 20s develop
October 19, 2024 15:02 20s
remove question from issues template
Check coding style #347: Commit 33d55d1 pushed by cw-tan
October 18, 2024 15:53 20s develop
October 18, 2024 15:53 20s
remove git utils
Check coding style #346: Commit d479aad pushed by cw-tan
October 17, 2024 23:11 17s develop
October 17, 2024 23:11 17s
update README
Check coding style #345: Commit 23f6701 pushed by cw-tan
October 11, 2024 04:32 18s develop
October 11, 2024 04:32 18s
use best model if val/test/predict after train
Check coding style #344: Commit 9bae4dd pushed by cw-tan
October 9, 2024 18:01 16s develop
October 9, 2024 18:01 16s
Update sphinx requirements
Check coding style #343: Commit 928dd86 pushed by cw-tan
October 9, 2024 15:01 20s develop
October 9, 2024 15:01 20s
remove torch_ema dependency
Check coding style #342: Commit 91ec602 pushed by cw-tan
October 6, 2024 00:35 18s develop
October 6, 2024 00:35 18s
generalize with_edge_vectors
Check coding style #340: Commit 8ba87b1 pushed by cw-tan
July 25, 2024 01:09 19s develop
July 25, 2024 01:09 19s
Update CITATION.cff
Check coding style #339: Commit c1a9d76 pushed by Linux-cpp-lisp
July 20, 2024 22:06 19s develop
July 20, 2024 22:06 19s