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Commits on Feb 5, 2025

• Merge pull request #70 from MorganCThomas/develop

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• cleanup

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• Merge branch 'develop' into MolExpL

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  dec7202

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• update tutorials ; update version

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Commits on Jan 30, 2025

• MolExp to count and remove stereoinfo

  MorganCThomas

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Commits on Dec 31, 2024

• add check_uniqueness option

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• add check_uniqueness option

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• docs

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Commits on Dec 9, 2024

• optionally return some moleval dists

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  committed
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Commits on Dec 6, 2024

• Merge branch 'develop' into MolExpL

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  committed
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• Merge pull request #68 from MorganCThomas/develop

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• bug fix previously introduced

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  committed
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• merge develop

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Commits on Dec 2, 2024

• add preset_tasks property

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• Merge pull request #67 from MorganCThomas/develop

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• typo fix

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Commits on Nov 29, 2024

• Merge pull request #66 from MorganCThomas/develop

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• update version to 1.8.4

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• merge develop

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• bug fix

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Commits on Nov 25, 2024

• Merge branch 'develop' into MolExpL

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Commits on Nov 21, 2024

• simplify scoring function parallelization API

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• only add timestamp with run_directories

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• make config resets consistent

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Commits on Nov 20, 2024

• switch to logger

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Commits on Nov 19, 2024

• merge parallel score metrics ; posecheck etc.

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  committed
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• longer default grace for ADMETAI

  MorganCThomas

  committed
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Commits on Nov 18, 2024

• actually add ADMETAI to __init__.py

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Commits on Nov 4, 2024

• Merge branch 'main' into develop

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  committed
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• update readme

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Commits on Oct 30, 2024

• update publication references

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  committed
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• Merge pull request #64 from MorganCThomas/develop

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Commits on Oct 21, 2024

• bug fix

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  committed
  bc27b0e

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• Increase score_metrics.py paralellisation

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  committed
  d15fa28

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• Merge pull request #62 from MorganCThomas/develop

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