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Merge branch 'master' of github.com:BAMeScience/equitrain
Installing and Testing #51: Commit 940564e pushed by pbenner
March 3, 2025 15:26 46s master
March 3, 2025 15:26 46s
bugfix in mace-initial-model.py
Installing and Testing #50: Commit fe36bd1 pushed by pbenner
March 2, 2025 19:52 51s master
March 2, 2025 19:52 51s
fixed eps argument
Installing and Testing #49: Commit 1579fb3 pushed by pbenner
March 2, 2025 18:07 48s master
March 2, 2025 18:07 48s
removed statistics file as a requirement for training - close #21
Installing and Testing #48: Commit 3188706 pushed by pbenner
March 2, 2025 17:48 43s master
March 2, 2025 17:48 43s
record learning rate and some bugfixes
Installing and Testing #47: Commit 43ceeb7 pushed by pbenner
March 2, 2025 09:38 43s master
March 2, 2025 09:38 43s
exclude main loss from monitored loss types
Installing and Testing #46: Commit 8e7c658 pushed by pbenner
March 2, 2025 09:15 49s master
March 2, 2025 09:15 49s
bugfix valid_loss variable name
Installing and Testing #45: Commit 3767839 pushed by pbenner
March 1, 2025 17:32 45s master
March 1, 2025 17:32 45s
added command line argument to set the scheduler theshold mode
Installing and Testing #44: Commit da4a1ec pushed by pbenner
March 1, 2025 17:00 44s master
March 1, 2025 17:00 44s
optional monitoring of validation loss for the scheduler
Installing and Testing #43: Commit 80a112a pushed by pbenner
March 1, 2025 14:52 48s master
March 1, 2025 14:52 48s
added optional limit on the number of steps per epoch
Installing and Testing #42: Commit c8256d5 pushed by pbenner
February 25, 2025 11:18 48s master
February 25, 2025 11:18 48s
print training data statistics
Installing and Testing #41: Commit 7f3c722 pushed by pbenner
February 20, 2025 12:32 57s master
February 20, 2025 12:32 57s
bugfixes in new loss code
Installing and Testing #40: Commit 8605d5d pushed by pbenner
February 12, 2025 08:21 47s master
February 12, 2025 08:21 47s
refactoring of loss metrics, support for monitoring multiple metrics
Installing and Testing #39: Commit fb49e22 pushed by pbenner
February 11, 2025 20:41 53s master
February 11, 2025 20:41 53s
added missing sevennet initial config
Installing and Testing #38: Commit b489776 pushed by pbenner
February 9, 2025 09:45 43s master
February 9, 2025 09:45 43s
minor cleanups
Installing and Testing #37: Commit b13b8aa pushed by pbenner
February 9, 2025 09:28 47s master
February 9, 2025 09:28 47s
allow optimization of mace atomic energies
Installing and Testing #36: Commit 4405b86 pushed by pbenner
February 8, 2025 20:22 49s master
February 8, 2025 20:22 49s
added sevennet train test script
Installing and Testing #35: Commit 0c26b2f pushed by pbenner
February 8, 2025 18:15 44s master
February 8, 2025 18:15 44s
removed print
Installing and Testing #34: Commit 3da0bb5 pushed by pbenner
February 8, 2025 17:00 43s master
February 8, 2025 17:00 43s
added SevenNet wrapper
Installing and Testing #33: Commit 30fdc88 pushed by pbenner
February 8, 2025 16:58 50s master
February 8, 2025 16:58 50s
added smooth l1 loss - closes: #13
Installing and Testing #32: Commit 208dfb1 pushed by pbenner
February 6, 2025 15:17 51s master
February 6, 2025 15:17 51s
Merge branch 'master' of github.com:BAMeScience/equitrain
Installing and Testing #31: Commit e3587af pushed by pbenner
February 6, 2025 12:31 51s master
February 6, 2025 12:31 51s
initial sevennet model
Installing and Testing #30: Commit 50298da pushed by pbenner
February 2, 2025 19:52 49s master
February 2, 2025 19:52 49s
last_lr initialization bugfix
Installing and Testing #29: Commit a31e06d pushed by pbenner
January 18, 2025 11:50 44s master
January 18, 2025 11:50 44s
reruff
Installing and Testing #28: Commit 5c62d76 pushed by pbenner
January 18, 2025 11:02 43s master
January 18, 2025 11:02 43s
fix scheduler steps on resume
Installing and Testing #27: Commit de5ef09 pushed by pbenner
January 18, 2025 11:00 1m 4s master
January 18, 2025 11:00 1m 4s