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Commits on Jan 10, 2024

• Update jax specification in import

  nrbennet

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Commits on Jan 9, 2024

• Add PyRosetta checking to import tests

  nrbennet

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  8d90e9f

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Commits on Nov 30, 2023

• Calculate RMSD of all designs

  nrbennet

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  1644c74

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Commits on Nov 17, 2023

• Update conda yml

  nrbennet

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  bfab591

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Commits on Oct 27, 2023

• Update README.md

  nrbennet

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  abf2d14

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• Update README.md

  nrbennet

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  ce4e98d

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Commits on Oct 9, 2023

• Change default name of af2_binder_design env

  nrbennet

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  a58c9b1

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• Change default name of proteinmpnn_fastrelax env

  nrbennet

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  86e4600

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• Update README.md

  nrbennet

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  9faabd0

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• Add example inputs and example commands

  nrbennet

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  56944f4

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• Add split conda envs and import tests. Add example inputs

  nrbennet

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  ee1e362

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• Create LICENSE

  nrbennet

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  77799b4

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• Update README.md

  nrbennet

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  b7a3f41

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Commits on Oct 3, 2023

• Add Preetham's fix for addFIXEDlabels.py

  nrbennet

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  cb96ca2

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Commits on Aug 4, 2023

• Add force_monomer option to predict.py

  nrbennet

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  31e0412

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Commits on Jun 21, 2023

• Update README.md

  nrbennet

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  4fa2806

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• Update README.md

  nrbennet

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  67b8e07

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• Update README.md

  nrbennet

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  685abd7

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• Update README.md

  nrbennet

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  7e66838

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• Added more informative argument labels

  nrbennet

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  272cfb5

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• Fix bug in FIXED res specification

  nrbennet

  committed
  784501d

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• Large refactor focused on consolidating into one AF2 script and one ProteinMPNN script. This will allow for easier additions of features in the future

  nrbennet

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  0bbebb5

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Commits on Jun 2, 2023

• Fixed but in relax cycle numbering of output tags

  nrbennet

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  c5ba139

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Commits on May 10, 2023

• MPNN FR now excludes C by default

  nrbennet

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  b98c640

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Commits on May 8, 2023

• Update README.md

  nrbennet

  authored
  2f95e3f

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• Fix to bug in fixed res argument

  nrbennet

  committed
  411bf6c

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Commits on May 2, 2023

• Add helper script to easily make fixed labels for RFdiffusion outputs

  nrbennet

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  b7ac3fc

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• Fix bug in silentfrompdbs

  nrbennet

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  7ead50f

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• Fix bug in FIXED residue labels

  nrbennet

  committed
  9f90b1e

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Commits on Apr 22, 2023

• Add multi seq MPNN script

  nrbennet

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  24d7b41

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• update gitignore

  nrbennet

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  faac7d2

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• Add ability to fix residues in MPNN. Also fixed some deprecated types

  nrbennet

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  17a4674

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• Add gitignore, PDB complex prediction script, and writing of per-residue pLDDT as a residue label

  nrbennet

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  b14ae17

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Commits on Apr 17, 2023

• Bug fix for structures with residx > 1000 and update deprecated jax functions

  nrbennet

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  71b4a50

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Commits on Apr 6, 2023

• Change some functions in AF2 to allow for use with newer versions of JAX

  nrbennet

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  423a592

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