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data_from_trajectory now also accepts views Documentation #58: Commit 9fbe425 pushed by axsk
February 16, 2024 16:52 2m 8s main
main
February 16, 2024 16:52 2m 8s
print batchsize, use new scatter plot, add cpu function Documentation #57: Commit 4e0404a pushed by axsk
February 16, 2024 15:39 30m 7s main
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February 16, 2024 15:39 30m 7s
fix CUDA support Documentation #56: Commit 87d5c36 pushed by axsk
February 14, 2024 15:27 1m 29s main
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February 14, 2024 15:27 1m 29s
supposedly fix cuda for IsoRun Documentation #55: Commit e16e90e pushed by axsk
February 14, 2024 14:35 30m 50s main
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February 14, 2024 14:35 30m 50s
add scaleandshift estimation Documentation #54: Commit c9d9543 pushed by axsk
February 14, 2024 14:32 1m 44s main
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February 14, 2024 14:32 1m 44s
remove support for ghostdata Documentation #53: Commit 5ba17c6 pushed by axsk
February 14, 2024 10:55 30m 35s main
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February 14, 2024 10:55 30m 35s
remove debug print of current rate estimate Documentation #52: Commit e220bfa pushed by axsk
February 13, 2024 16:29 1m 38s main
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February 13, 2024 16:29 1m 38s
increase minibatch size (up to a point where the shuffling is not a b… Documentation #51: Commit a052b1f pushed by axsk
February 13, 2024 15:24 29m 4s main
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February 13, 2024 15:24 29m 4s
add minibatch to isomolly, fix tests Documentation #50: Commit 50aab45 pushed by axsk
February 12, 2024 16:52 1m 30s main
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February 12, 2024 16:52 1m 30s
data_from_trajectory: rewrite to use ghost samples Documentation #49: Commit 728b569 pushed by axsk
February 12, 2024 15:28 29m 20s main
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February 12, 2024 15:28 29m 20s
isomolly.jl: disable subsampling if nx >= size(data[1],2) Documentation #48: Commit 46ba9a4 pushed by axsk
February 12, 2024 13:43 1m 23s main
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February 12, 2024 13:43 1m 23s
fix typo#2 in data_from_trajectory Documentation #47: Commit 61f5de4 pushed by axsk
February 12, 2024 12:41 29m 35s main
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February 12, 2024 12:41 29m 35s
fix typo in data_from_trajectory Documentation #46: Commit 3970ca2 pushed by axsk
February 9, 2024 13:28 1m 59s main
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February 9, 2024 13:28 1m 59s
enable time-reversal for data_from_trajectory Documentation #45: Commit d380c28 pushed by axsk
February 8, 2024 17:27 1m 30s main
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February 8, 2024 17:27 1m 30s
fix autoplot, closes fixes axsk/IsoMu.jl#4 Documentation #44: Commit f0d5f47 pushed by axsk
February 8, 2024 17:10 36m 10s main
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February 8, 2024 17:10 36m 10s
fix autoplot, closes fixes axsk/IsoMu.jl#4 Documentation #43: Commit 9185ccf pushed by axsk
February 8, 2024 16:51 30m 17s main
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February 8, 2024 16:51 30m 17s
fix autoplot, closes fixes axsk/IsoMu.jl#4 Documentation #42: Commit 9be8bb4 pushed by axsk
February 8, 2024 16:50 30m 43s main
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February 8, 2024 16:50 30m 43s
fix anonymous logger Documentation #41: Commit 70c6d24 pushed by axsk
February 7, 2024 11:27 2m 0s main
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February 7, 2024 11:27 2m 0s
prototype ISO2 interface Documentation #40: Commit cfbf8ea pushed by axsk
February 6, 2024 16:52 29m 51s main
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February 6, 2024 16:52 29m 51s
enable gpu support for openmm simulations Documentation #39: Commit 043b299 pushed by axsk
February 6, 2024 14:25 26m 36s main
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February 6, 2024 14:25 26m 36s
refactor adaptive sampling, let isosteps take losses and targets Documentation #38: Commit 5cf298b pushed by axsk
February 6, 2024 12:49 2m 3s main
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February 6, 2024 12:49 2m 3s
fix openmm threading Documentation #37: Commit b832ce4 pushed by axsk
February 2, 2024 16:09 29m 28s main
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February 2, 2024 16:09 29m 28s
openmm: improve context copying Documentation #36: Commit 4f8399a pushed by axsk
January 30, 2024 13:40 1m 13s main
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January 30, 2024 13:40 1m 13s
automate benchmark Documentation #35: Commit c04066e pushed by axsk
January 30, 2024 10:35 29m 11s main
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January 30, 2024 10:35 29m 11s
automate benchmark Documentation #34: Commit 5d3c5f9 pushed by axsk
January 30, 2024 10:35 29m 18s main
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January 30, 2024 10:35 29m 18s