All pull requests

Pull requests

• Use Pixi to manage virtual environments

  #161·mattwthompson opened Nov 5, 2026Member·

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• Add alpha2b rf v1 frozen

  #153·lilyminium opened Oct 12, 2026Collaborator·7 tasks·

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  5

  

• Add alpha2b

  #151·lilyminium opened Oct 12, 2026Collaborator·7 tasks·

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  7

  

• Sage-2.3.0 refit on extended training set

  #141·pavankum opened Aug 7, 2026Member·1 of 7 tasks·

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  5

  

• 2.3.0 + 62 addnl params related to NSP w/ extended training set

  #140·pavankum opened Aug 7, 2026Member·1 of 7 tasks·

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  7

  

• 2.3.0 refit w/ extended NSP training set

  #138·pavankum opened Aug 3, 2026Member·1 of 7 tasks·

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  6

  

• 2.3.0 + 62 addnl params related to NSP w/ extended training set

  #137·pavankum opened Aug 3, 2026Member·5 of 7 tasks·

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  5

  

• benchmark openff_unconstrained-2.3.0-ashgc-alkane-valence1-lj.offxml …

  #125·JHoeflich1 opened Jun 29, 2026Collaborator·5 of 7 tasks·

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  13

  

• Update torsion scripts consistent with yammbs metrics updates

  #98·fjclark opened Jan 16, 2026Collaborator·

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  18

  

• Begin drafting a defined stack

  #89·mattwthompson opened Nov 20, 2025Member·6 of 10 tasks·

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• Rep3 of Rosemary alpha

  #84·lilyminium opened Nov 14, 2025Collaborator·7 tasks·

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  3

• Rep2 of Rosemary alpha

  #83·lilyminium opened Nov 14, 2025Collaborator·7 tasks·

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  3

• Sage 2.1.0 unconstrained on Industry Benchmark v1.2, replicate 3

  #81·lilyminium opened Nov 13, 2025Collaborator·7 tasks·

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  3

• Sage 2.1.0 unconstrained on Industry Benchmark v1.2, replicate 2

  #80·lilyminium opened Nov 13, 2025Collaborator·7 tasks·

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  3

• Sage 2.1.0 unconstrained on Industry Benchmark v1.2, replicate 1

  #79·lilyminium opened Nov 13, 2025Collaborator·1 of 7 tasks·

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  3

• Support multiple force fields per submission

  #66·mattwthompson opened Sep 24, 2025Member·

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  1