exalearn / fast-finetuned-forcefields / 5212635780

Builds Branch Commit Type Ran Committer Via Coverage
5212635780 finetune Allow for finetuning from different TTM runs push WardLT github pending completion   set done
5211911579 finetune Update how we finetune models push WardLT github pending completion   set done
5211883984 finetune Remove notebooks that escaped merge push WardLT github pending completion   set done
5211834106 finetune Merge branch 'main' into finetune push WardLT github pending completion   set done
5138105656 main Initial work on dehydrogenation problem (#31) * Move notebooks for hydronet into a subdirectory * Be able to fix a maximum size * Add function for setting reference energies * Add example notebook for SchNet with PBCs * Add ability to... push web-flow github pending completion   set done
5138103422 ani1x Add notebooks for comparing MD performance push WardLT github pending completion   set done
5137455685 ani1x Add notebooks about finetuning push WardLT github pending completion   set done
5137413355 ani1x Go back to original directory push WardLT github pending completion   set done
4939167074 ani1x Merge remote-tracking branch 'origin/main' into ani1x push Logan Ward github pending completion   set done
4929492886 revert-26-schnet-with-pbc Revert "SchNet with periodic boundary conditions" push GitHub github pending completion   set done
4929488587 main Merge pull request #26 from exalearn/schnet-with-pbc push GitHub github pending completion   set done
4929359775 schnet-with-pbc Flake8 fixes push Logan Ward github pending completion   set done
4914661658 ani1x Move notebooks for hydronet into a subdirectory push Logan Ward github pending completion   set done
4895130525 schnet-with-pbc Fix the CI build (#23) push GitHub github pending completion   set done
4895103902 main Fix the CI build (#23) push GitHub github pending completion   set done