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factor out cascade loop into runner class
CI #399: Commit 39b84f0 pushed by miketynes
December 3, 2024 22:00 3m 37s serial-prototype
December 3, 2024 22:00 3m 37s
factor out + test trajectory
CI #398: Commit 8e3b72f pushed by miketynes
December 3, 2024 16:58 4m 48s serial-prototype
December 3, 2024 16:58 4m 48s
Add an interface to schnetpack
CI #397: Pull request #60 synchronize by WardLT
November 22, 2024 20:54 4m 57s add-spk-learning
November 22, 2024 20:54 4m 57s
Add training script for SchNet
CI #396: Commit 6315230 pushed by WardLT
November 22, 2024 20:54 4m 19s add-spk-learning
November 22, 2024 20:54 4m 19s
cleanup notebook
CI #395: Commit 39b003c pushed by miketynes
November 15, 2024 19:05 3m 32s serial-prototype
November 15, 2024 19:05 3m 32s
extremely minimal viable prototype
CI #394: Commit ab7a326 pushed by miketynes
November 15, 2024 18:59 3m 50s serial-prototype
November 15, 2024 18:59 3m 50s
Add an interface to schnetpack
CI #393: Pull request #60 opened by WardLT
November 15, 2024 18:48 4m 30s add-spk-learning
November 15, 2024 18:48 4m 30s
Implement training using PL
CI #392: Commit 3def019 pushed by WardLT
November 15, 2024 18:48 4m 23s add-spk-learning
November 15, 2024 18:48 4m 23s
add RandomAuditor
CI #391: Commit 8a7d3a0 pushed by miketynes
November 13, 2024 23:49 4m 6s serial-prototype
November 13, 2024 23:49 4m 6s
Start implementation of SchNet learner
CI #390: Commit 83cb3a6 pushed by WardLT
November 13, 2024 21:52 3m 39s add-spk-learning
November 13, 2024 21:52 3m 39s
Minor changes to the training script (#58)
CI #388: Commit c67aebf pushed by WardLT
November 12, 2024 18:34 5m 8s main
November 12, 2024 18:34 5m 8s
Minor changes to the training script
CI #387: Pull request #58 synchronize by WardLT
November 12, 2024 18:33 5m 12s train-with-dbs
November 12, 2024 18:33 5m 12s
remove embarassing breakpoint
CI #385: Commit 3a8ddd0 pushed by miketynes
November 12, 2024 02:00 3m 53s diffusion-analysis
November 12, 2024 02:00 3m 53s
wip diffusion deep dive
CI #384: Commit 584a16b pushed by miketynes
November 8, 2024 21:33 4m 9s diffusion-analysis
November 8, 2024 21:33 4m 9s
WIP subtract com in diffusion option
CI #383: Commit eb00a9a pushed by miketynes
November 8, 2024 21:32 3m 39s diffusion-analysis
November 8, 2024 21:32 3m 39s
WIP: use mace as a target (#57)
CI #382: Commit cf6fbd5 pushed by miketynes
November 8, 2024 21:30 3m 42s diffusion-analysis
November 8, 2024 21:30 3m 42s
Minor changes to the training script
CI #381: Pull request #58 synchronize by WardLT
November 8, 2024 15:20 5m 23s train-with-dbs
November 8, 2024 15:20 5m 23s
Shuffle data read from db files
CI #380: Commit f9bcc71 pushed by WardLT
November 8, 2024 15:20 4m 59s train-with-dbs
November 8, 2024 15:20 4m 59s
Minor changes to the training script
CI #379: Pull request #58 opened by WardLT
November 7, 2024 17:21 5m 6s train-with-dbs
November 7, 2024 17:21 5m 6s
Store performance on all datasets
CI #378: Commit 86425c9 pushed by WardLT
November 7, 2024 17:21 5m 24s train-with-dbs
November 7, 2024 17:21 5m 24s
WIP: use mace as a target
CI #377: Pull request #57 synchronize by miketynes
November 6, 2024 21:26 3m 59s mace-as-target
November 6, 2024 21:26 3m 59s
convert all results to float64 for consistency
CI #376: Commit 4b898fa pushed by miketynes
November 6, 2024 21:26 4m 5s mace-as-target
November 6, 2024 21:26 4m 5s