5315452696
98%

Ran 19 Jun 2023 07:31PM UTC

Jobs 1

Files 36

Run time 2s

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Build # 5315452696

Build Type

push

github

Committed by

web-flow

Commit Message

Add an example which uses Bebop (#52)

* Handle a missing database

* Initialize the example

* Refactor scoring algorithms

* Add ExpectedImprovement

* Fix filename

* Include modal in deps, use update operation

* Use EI in the Hieu example

* Use pytorch-forked to limit stalling on tests

* Add the search space from Hieu's paper

* Add the search space from Hieu's paper

* Starting refactor of RDKit to fit more descriptors

* Add features from @hieuadoan's work

* Notify of new tasks

* Make the feature computer more flexible

* Exit simulation submitter if the thinker is done

* Add shortcut for making GPR

* Continue to fix steering exit

* Document the model template generators

* Switch to using vertical IPs

Faster and tests putting entries on the top of the list

* Use bootstrap sampling by default

* Fix docs and tests

* Update the readme and spec for bebop

* Switch to using GPR

* Test without bootstrapping

* Update the settings used for Gaussian

* Correct the test

Run Details

1403 of 1425 relevant lines covered (98.46%)

0.98 hits per line

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ID	Job ID	Ran	Files	Coverage
1	5315452696.1	19 Jun 2023 07:31PM UTC	36	98.46

exalearn / ExaMol / 5315452696
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