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Commits on Jun 25, 2025

• conda environment

  arneschneuing

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  5d0d38d

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Commits on Feb 24, 2025

• Update README.md

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Commits on Feb 23, 2025

• Merge pull request #47 from LorenzoTarricone/patch-1

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Commits on Jan 23, 2025

• Update README.md

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Commits on Oct 30, 2024

• Update README.md

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  LorenzoTarricone

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Commits on Oct 14, 2024

• update README & process_crossdock

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  a2c64e6

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Commits on Jul 25, 2024

• Update README.md

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• Merge pull request #45 from arneschneuing/optimisation

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• remove commented out code

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Commits on Jul 22, 2024

• add evoluationary algorithum

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Commits on Jun 19, 2024

• add step-by-step examples

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  0b0193a

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• fix inpainting bug

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  1569ec9

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Commits on Sep 19, 2023

• support reference ligands in sdf format

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Commits on Sep 11, 2023

• Created using Colaboratory

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  61225b3

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Commits on Aug 11, 2023

• Update README.md

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Commits on Aug 9, 2023

• Update README.md

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• arXiv v2

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  8a8e03c

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Commits on May 31, 2023

• fix device mismatch

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  0a142c8

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Commits on Apr 18, 2023

• Update citation

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Commits on Mar 3, 2023

• Update process_crossdock.py

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Commits on Dec 22, 2022

• Update process_crossdock.py

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Commits on Dec 16, 2022

• Created using Colaboratory

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Commits on Dec 14, 2022

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• change installation procedure

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Commits on Dec 12, 2022

• Created using Colaboratory

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Commits on Dec 8, 2022

• update docstring

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Commits on Nov 21, 2022

• Merge remote-tracking branch 'origin/main'

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• upload config files

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Commits on Nov 7, 2022

• Update README.md

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Commits on Oct 31, 2022

• Update README.md

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Commits on Oct 28, 2022

• fix crossdocked preprocessing

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Commits on Oct 26, 2022

• Update README.md

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• update README

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• Created using Colaboratory

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Commits on Oct 22, 2022

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