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OCPCalculator output_only option
PR label checking (major/minor/patch, enhancement, etc) #694: Pull request #922 synchronize by lbluque
December 3, 2024 18:07 10s add_calculator_only_output_field
December 3, 2024 18:07 10s
pin pytorch at 2_4_0
PR label checking (major/minor/patch, enhancement, etc) #693: Pull request #928 labeled by misko
December 3, 2024 17:51 12s fix_pytorch_2_4_0
December 3, 2024 17:51 12s
pin pytorch at 2_4_0
PR label checking (major/minor/patch, enhancement, etc) #692: Pull request #928 labeled by misko
December 3, 2024 17:51 14s fix_pytorch_2_4_0
December 3, 2024 17:51 14s
OptimizableBatch and stress relaxations
PR label checking (major/minor/patch, enhancement, etc) #691: Pull request #718 synchronize by zulissimeta
December 3, 2024 15:50 18s stress-relaxations
December 3, 2024 15:50 18s
OptimizableBatch and stress relaxations
PR label checking (major/minor/patch, enhancement, etc) #690: Pull request #718 synchronize by zulissimeta
December 3, 2024 15:44 13s stress-relaxations
December 3, 2024 15:44 13s
OptimizableBatch and stress relaxations
PR label checking (major/minor/patch, enhancement, etc) #689: Pull request #718 synchronize by lbluque
December 2, 2024 20:09 12s stress-relaxations
December 2, 2024 20:09 12s
OptimizableBatch and stress relaxations
PR label checking (major/minor/patch, enhancement, etc) #688: Pull request #718 synchronize by lbluque
December 2, 2024 20:08 14s stress-relaxations
December 2, 2024 20:08 14s
Fix Deprecation Warnings torch.GradScaler and torch.autocast
PR label checking (major/minor/patch, enhancement, etc) #687: Pull request #930 opened by IliasChair
November 30, 2024 13:58 12s IliasChair:fix-deprecation-warnings
November 30, 2024 13:58 12s
pin pytorch at 2_4_0
PR label checking (major/minor/patch, enhancement, etc) #686: Pull request #928 opened by misko
November 27, 2024 23:47 11s fix_pytorch_2_4_0
November 27, 2024 23:47 11s
Remove use of local rank in trainers
PR label checking (major/minor/patch, enhancement, etc) #685: Pull request #926 synchronize by rayg1234
November 26, 2024 02:52 16s rgao_remove_local_rank_use
November 26, 2024 02:52 16s
OptimizableBatch and stress relaxations
PR label checking (major/minor/patch, enhancement, etc) #684: Pull request #718 synchronize by lbluque
November 26, 2024 00:14 10s stress-relaxations
November 26, 2024 00:14 10s
update omat24 configs for new loss
PR label checking (major/minor/patch, enhancement, etc) #683: Pull request #927 synchronize by lbluque
November 25, 2024 23:52 14s omat24-doc-updates
November 25, 2024 23:52 14s
Bump codecov/codecov-action from 4 to 5
PR label checking (major/minor/patch, enhancement, etc) #682: Pull request #921 synchronize by lbluque
November 25, 2024 23:24 12s
EquiformerV2 + DeNS model and trainer
PR label checking (major/minor/patch, enhancement, etc) #681: Pull request #880 synchronize by lbluque
November 25, 2024 23:22 13s eqv2_dens
November 25, 2024 23:22 13s
update omat24 configs for new loss
PR label checking (major/minor/patch, enhancement, etc) #680: Pull request #927 opened by lbluque
November 25, 2024 23:21 1m 2s omat24-doc-updates
November 25, 2024 23:21 1m 2s
update omat24 configs for new loss
PR label checking (major/minor/patch, enhancement, etc) #679: Pull request #927 labeled by lbluque
November 25, 2024 23:21 12s omat24-doc-updates
November 25, 2024 23:21 12s
update omat24 configs for new loss
PR label checking (major/minor/patch, enhancement, etc) #678: Pull request #927 labeled by lbluque
November 25, 2024 23:21 13s omat24-doc-updates
November 25, 2024 23:21 13s
Remove use of local rank in trainers
PR label checking (major/minor/patch, enhancement, etc) #677: Pull request #926 synchronize by rayg1234
November 25, 2024 21:20 14s rgao_remove_local_rank_use
November 25, 2024 21:20 14s
Add wandb logger init to hydra runners
PR label checking (major/minor/patch, enhancement, etc) #676: Pull request #894 synchronize by rayg1234
November 25, 2024 21:18 15s rgao_hydra_logger_init
November 25, 2024 21:18 15s
Add wandb logger init to hydra runners
PR label checking (major/minor/patch, enhancement, etc) #675: Pull request #894 synchronize by rayg1234
November 25, 2024 21:17 16s rgao_hydra_logger_init
November 25, 2024 21:17 16s
Add wandb logger init to hydra runners
PR label checking (major/minor/patch, enhancement, etc) #674: Pull request #894 synchronize by rayg1234
November 25, 2024 19:51 16s rgao_hydra_logger_init
November 25, 2024 19:51 16s
Remove use of local rank in trainers
PR label checking (major/minor/patch, enhancement, etc) #673: Pull request #926 labeled by rayg1234
November 25, 2024 19:40 15s rgao_remove_local_rank_use
November 25, 2024 19:40 15s
Remove use of local rank in trainers
PR label checking (major/minor/patch, enhancement, etc) #672: Pull request #926 labeled by rayg1234
November 25, 2024 19:40 11s rgao_remove_local_rank_use
November 25, 2024 19:40 11s
Remove use of local rank in trainers
PR label checking (major/minor/patch, enhancement, etc) #671: Pull request #926 opened by rayg1234
November 25, 2024 19:37 13s rgao_remove_local_rank_use
November 25, 2024 19:37 13s
add better solvent placement logic
PR label checking (major/minor/patch, enhancement, etc) #670: Pull request #835 synchronize by mshuaibii
November 23, 2024 00:11 16s tile_solvents
November 23, 2024 00:11 16s