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Fix shape of q_core tensor for MM embedding. Build and test #204: Commit d0da601 pushed by lohedges
November 1, 2024 13:17 4m 25s feature_analyze
feature_analyze
November 1, 2024 13:17 4m 25s
Implementation of emle-analyze script Build and test #203: Pull request #33 synchronize by kzinovjev
October 30, 2024 15:35 4m 9s kzinovjev:emle-analyze
kzinovjev:emle-analyze
October 30, 2024 15:35 4m 9s
Implementation of emle-analyze script Build and test #202: Pull request #33 opened by kzinovjev
October 30, 2024 14:07 4m 27s kzinovjev:emle-analyze
kzinovjev:emle-analyze
October 30, 2024 14:07 4m 27s
Merge pull request #32 from kzinovjev/aev-tweaks Build and test #201: Commit 53049aa pushed by lohedges
October 29, 2024 20:05 14s main
main
October 29, 2024 20:05 14s
Add aev_mean model parameter Build and test #200: Pull request #32 opened by kzinovjev
October 29, 2024 19:23 4m 56s kzinovjev:aev-tweaks
kzinovjev:aev-tweaks
October 29, 2024 19:23 4m 56s
Catch NNPOps failures. Build and test #199: Commit e0f5985 pushed by lohedges
October 25, 2024 16:31 4m 24s main
main
October 25, 2024 16:31 4m 24s
Add informative message when default model is missing. Build and test #198: Commit 9695c1a pushed by lohedges
October 25, 2024 08:50 4m 26s main
main
October 25, 2024 08:50 4m 26s
Add module description docstrings. Build and test #197: Commit bf5851a pushed by lohedges
October 25, 2024 08:05 4m 27s main
main
October 25, 2024 08:05 4m 27s
Merge pull request #31 from chemle/feature_species Build and test #196: Commit cd9633a pushed by lohedges
October 23, 2024 12:03 4m 27s main
main
October 23, 2024 12:03 4m 27s
Remove redundant attributes and kwargs now that the species are encoded in future models Build and test #195: Pull request #31 opened by lohedges
October 23, 2024 09:54 16s feature_species
feature_species
October 23, 2024 09:54 16s
Remove redundant attributes and kwargs. Build and test #194: Commit 053b18f pushed by lohedges
October 23, 2024 09:52 5m 28s feature_species
feature_species
October 23, 2024 09:52 5m 28s
Merge pull request #30 from kzinovjev/emle-train Build and test #193: Commit 7e54719 pushed by lohedges
October 23, 2024 09:48 15s feature_species
feature_species
October 23, 2024 09:48 15s
Merge pull request #30 from kzinovjev/emle-train Build and test #192: Commit 7e54719 pushed by lohedges
October 23, 2024 09:35 18s main
main
October 23, 2024 09:35 18s
Provide species list in model file Build and test #191: Pull request #30 opened by kzinovjev
October 23, 2024 09:26 4m 26s kzinovjev:emle-train
kzinovjev:emle-train
October 23, 2024 09:26 4m 26s
Merge pull request #29 from chemle/feature_base Build and test #190: Commit 760ac56 pushed by lohedges
October 22, 2024 17:09 14s main
main
October 22, 2024 17:09 14s
Add EMLE base model Build and test #189: Pull request #29 synchronize by lohedges
October 22, 2024 15:36 14s feature_base
feature_base
October 22, 2024 15:36 14s
Make k_Z a torch parameter and fix module methods. Build and test #188: Commit 85040b2 pushed by lohedges
October 22, 2024 15:36 4m 30s feature_base
feature_base
October 22, 2024 15:36 4m 30s
Add EMLE base model Build and test #187: Pull request #29 opened by lohedges
October 22, 2024 13:34 16s feature_base
feature_base
October 22, 2024 13:34 16s
Default to combined AEV model. Build and test #186: Commit 1bc96bf pushed by lohedges
October 22, 2024 13:09 4m 26s feature_base
feature_base
October 22, 2024 13:09 4m 26s
Fix types. Build and test #185: Commit c2f12f9 pushed by lohedges
October 22, 2024 11:54 4m 9s feature_base
feature_base
October 22, 2024 11:54 4m 9s
Remove unnecessary logging. Build and test #184: Commit 56da067 pushed by lohedges
October 22, 2024 10:56 4m 10s feature_base
feature_base
October 22, 2024 10:56 4m 10s
Separate class for core EMLE functionality Build and test #183: Pull request #28 opened by kzinovjev
October 21, 2024 19:04 4m 13s kzinovjev:emle-train
kzinovjev:emle-train
October 21, 2024 19:04 4m 13s
Merge pull request #27 from chemle/feature_calculator_refactor Build and test #182: Commit 9fbb809 pushed by lohedges
October 17, 2024 20:49 4m 25s main
main
October 17, 2024 20:49 4m 25s
Refactor calculator to use EMLE Torch module Build and test #181: Pull request #27 synchronize by lohedges
October 17, 2024 20:44 18s feature_calculator_refactor
feature_calculator_refactor
October 17, 2024 20:44 18s
Store custom species as a model attribute. Build and test #180: Commit 5487829 pushed by lohedges
October 17, 2024 20:44 4m 23s feature_calculator_refactor
feature_calculator_refactor
October 17, 2024 20:44 4m 23s