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Compare sampling methods for the same molecule CI #83: Pull request #22 opened by WardLT
November 15, 2023 18:27 2m 4s papermill
papermill
November 15, 2023 18:27 2m 4s
Add comparison function CI #82: Commit cf87f02 pushed by WardLT
November 15, 2023 18:23 2m 10s papermill
papermill
November 15, 2023 18:23 2m 10s
Add script for running all methods for a single XYZ CI #81: Commit 3ca087c pushed by WardLT
November 9, 2023 21:31 2m 6s papermill
papermill
November 9, 2023 21:31 2m 6s
Ensure that notebooks are cleared on commit (#20) CI #80: Commit ea49fda pushed by WardLT
November 7, 2023 22:32 2m 49s main
main
November 7, 2023 22:32 2m 49s
Ensure that notebooks are cleared on commit CI #79: Pull request #20 synchronize by WardLT
November 7, 2023 22:29 2m 4s clear-nbs
clear-nbs
November 7, 2023 22:29 2m 4s
Dry run doesn't tell which have outputs, just which it would screen CI #78: Commit 54f9179 pushed by WardLT
November 7, 2023 22:29 2m 3s clear-nbs
clear-nbs
November 7, 2023 22:29 2m 3s
Ensure that notebooks are cleared on commit CI #77: Pull request #20 synchronize by WardLT
November 7, 2023 22:22 3m 4s clear-nbs
clear-nbs
November 7, 2023 22:22 3m 4s
Flip the boolean CI #76: Commit 287cfa0 pushed by WardLT
November 7, 2023 22:22 2m 23s clear-nbs
clear-nbs
November 7, 2023 22:22 2m 23s
Ensure that notebooks are cleared on commit CI #75: Pull request #20 synchronize by WardLT
November 7, 2023 22:19 2m 3s clear-nbs
clear-nbs
November 7, 2023 22:19 2m 3s
Use the conda-forge PyTorch CI #74: Commit 1a7a8de pushed by WardLT
November 7, 2023 22:19 2m 2s clear-nbs
clear-nbs
November 7, 2023 22:19 2m 2s
Ensure that notebooks are cleared on commit CI #73: Pull request #20 synchronize by WardLT
November 7, 2023 22:15 42s clear-nbs
clear-nbs
November 7, 2023 22:15 42s
Use miniforge CI #72: Commit edfb3e3 pushed by WardLT
November 7, 2023 22:15 1m 3s clear-nbs
clear-nbs
November 7, 2023 22:15 1m 3s
Ensure that notebooks are cleared on commit CI #71: Pull request #20 opened by WardLT
November 7, 2023 22:13 2m 45s clear-nbs
clear-nbs
November 7, 2023 22:13 2m 45s
Make sure the notebooks are empty CI #70: Commit f1cf217 pushed by WardLT
November 7, 2023 22:12 2m 16s clear-nbs
clear-nbs
November 7, 2023 22:12 2m 16s
Actually add parameters back in CI #69: Commit 138a712 pushed by WardLT
November 6, 2023 22:18 2m 36s clear-nbs
clear-nbs
November 6, 2023 22:18 2m 36s
Add parameters back into the notebook CI #68: Commit c95bc63 pushed by WardLT
November 6, 2023 22:16 1m 40s clear-nbs
clear-nbs
November 6, 2023 22:16 1m 40s
Clearing notebook contents CI #67: Commit 935abad pushed by WardLT
November 1, 2023 19:59 2m 39s clear-nbs
clear-nbs
November 1, 2023 19:59 2m 39s
Add README for notebook dir CI #66: Commit b1937b4 pushed by WardLT
October 18, 2023 16:44 15m 15s main
main
October 18, 2023 16:44 15m 15s
Add SOAP forcefields (#19) CI #65: Commit e051bb4 pushed by WardLT
October 18, 2023 14:33 15m 12s main
main
October 18, 2023 14:33 15m 12s
Add SOAP forcefields CI #64: Pull request #19 synchronize by WardLT
October 18, 2023 14:13 15m 11s soap_gpy
soap_gpy
October 18, 2023 14:13 15m 11s
Remove pytorch channel CI #63: Commit 4994153 pushed by WardLT
October 18, 2023 14:13 15m 11s soap_gpy
soap_gpy
October 18, 2023 14:13 15m 11s
Add SOAP forcefields CI #62: Pull request #19 synchronize by WardLT
October 18, 2023 13:53 15m 14s soap_gpy
soap_gpy
October 18, 2023 13:53 15m 14s
Moved gpytorch (pure Python) to pip CI #61: Commit f73cafe pushed by WardLT
October 18, 2023 13:53 15m 13s soap_gpy
soap_gpy
October 18, 2023 13:53 15m 13s
Add SOAP forcefields CI #60: Pull request #19 synchronize by WardLT
October 18, 2023 12:16 15m 15s soap_gpy
soap_gpy
October 18, 2023 12:16 15m 15s
Add notebook showing how to use SOAP CI #59: Commit ae18546 pushed by WardLT
October 18, 2023 12:16 15m 14s soap_gpy
soap_gpy
October 18, 2023 12:16 15m 14s