Code

Update benchmark dataset#11

Code

Merged

doncamilom merged 56 commits intomainschwallergroup/gosybench:mainfrom update_benchmarkschwallergroup/gosybench:update_benchmarkCopy head branch name to clipboardDec 10, 2024

+718-365

Commits

Commits on Nov 29, 2024

• first commit

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• split - working

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• add task class

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• add evaluator, and logger. update task

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Commits on Dec 2, 2024

• add basetype and update task to load from graph

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• format

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• update tree metrics calc

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• add basetypes: every model for this task should output like this

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• formatting

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• update docs test

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• move files around

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• add metrics class

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• add class for metrics and doccstrs

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• update actions

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• done updateing classes. some things to fix

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Commits on Dec 3, 2024

• adding tests

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• fixing metrics to pass tests

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• make testing bit faster

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• fix iso test

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• fix prune function test

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• fix another test <> metric

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• fix test - exact match

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• fixed one more test

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• finished tests

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• clean up

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• code to evaluate pre-run methods

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• add preprocessing to compare graphs based on names. maybe will have to fix tests

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Commits on Dec 4, 2024

• add preprocessing step into Task - ensures graphs can be compared

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• add wandb reporting into GOSyBench calss

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• update results notebook

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• remove stuff from api

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• rm graph preprocess from task

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• linting

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• rm unnecesary

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• clean out the stuff from jasyntho in api.py

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Commits on Dec 6, 2024

• add optimized solver to find long path with smiles (+ tests)

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• api jasyntho TODO

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• format

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• rm extra function

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• scrip to calculate stats of dataset. simple call to packages api

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• fix calc max smiles path

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• WIP adding the ground truth graphs

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• Merge branch 'main' of https://github.com/schwallergroup/syn2act into update_benchmark

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• update smiles for one paper

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• update smiles

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Commits on Dec 9, 2024

• update package -> transition to gosybench

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• test

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• update workflows to install pkg

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• update workflow

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• update workflows

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• hm

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• s

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Commits on Dec 10, 2024

• Update README.md

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• update names

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• update txo

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• update version

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