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Commits on Jul 18, 2024
- Fix a handful of issues for numpy2.0 (#304)
  aleaverfay
  authored
  fef16ae
Commits on Jul 11, 2024
- Activate the missing `ref` energy in the beta2016_score_function (#302)
  aleaverfay
  authored
  02a6b3a
- Aleaverfay/update moderngpu to trunk head, revision d8cf03d (#300)
  aleaverfay
  authored
  e10fe8a
Commits on Jul 10, 2024
- Return dictionary instead of tuple from canonical_form_from_pose_stack (#301)
  aleaverfay
  authored
  b30b592
Commits on Apr 18, 2024
- Dimaio/remove old scoreterms (#297)
  fdimaio
  authored
  2cc46cd
Commits on Apr 16, 2024
- Dimaio/block pair scoring (#264)
  
  authored
  b0a09d6
Commits on Apr 12, 2024
- Dimaio/minimizer perf (#293)
  
  fdimaio
  and
  aleaverfay
  authored
  28026fa
Commits on Apr 5, 2024
- Update dev setup following #290 (#292)
  fdimaio
  authored
  322eb4e
Commits on Mar 28, 2024
- Add validate_args decorators to API functions in tmol.io (#289)
  aleaverfay
  authored
  74d9471
Commits on Mar 26, 2024
- bump python/torch and update packaging (#288) (#290)
  aleaverfay
  authored
  bd577db
Commits on Jan 16, 2024
- Create CanonicalOrdering from chemdb (#281)
  aleaverfay
  authored
  2d4bdf3
Commits on Jan 14, 2024
- Dimaio/singularity test server (#287)
  fdimaio
  authored
  92d3767
Commits on Dec 11, 2023
- Fix disulfide term's handling of placeholder residues (i.e. block type == -1) (#285)
  aleaverfay
  authored
  2583371
Commits on Oct 23, 2023
- Aleaverfay/pose stack to canonical form (#275)
  aleaverfay
  authored
  39752dc
Commits on Oct 19, 2023
- Updates to support numpy 1.24 and newer (#280)
  fdimaio
  authored
  0a705c3
Commits on Oct 16, 2023
- Aleaverfay/fast cpu apsp (#274)
  aleaverfay
  authored
  e25eab3
- Aleaverfay/create atom index mapping b/w PoseStack and CanonicalForm (#279)
  aleaverfay
  authored
  8ff0862
Commits on Oct 10, 2023
- Fix an arg error in the ref annotate test. (#278)
  jflat06
  authored
  ab4650c
- Fix missing arg error in dunbrack test. (#277)
  jflat06
  authored
  1ffec54
- Ref Energy Term (#272)
  jflat06
  authored
  6d3ae7d
Commits on Oct 9, 2023
- Res-centric dunbrack (#270)
  jflat06
  authored
  d6ef17e
- Aleaverfay/pose building interface (#257)
  aleaverfay
  authored
  d28f2a6
Commits on Sep 26, 2023
- Fix out-of-bounds read in APSP (#273)
  aleaverfay
  authored
  b8940ef
Commits on Sep 22, 2023
- Residue centric cartbonded (#260)
  jflat06
  authored
  9ef0b0f
Commits on Sep 11, 2023
- Fix error in name3 of patched residues (#271)
  fdimaio
  authored
  056044f
- Dimaio/bb dep omega (#269)
  fdimaio
  authored
  5da50a6
Commits on Aug 15, 2023
- Fix an out-of-bounds read in LKBall (#266)
  aleaverfay
  authored
  8e07030
- Fix bug in unresolved atom id resolution (#267)
  aleaverfay
  authored
  337b389
Commits on Aug 3, 2023
- Dimaio/patching (#261)
  
  fdimaio
  and
  aleaverfay
  authored
  b8f7659
Commits on Aug 1, 2023
- Fix score function factory behavior for hbonds (#265)
  aleaverfay
  authored
  c25e66e
Commits on Jul 11, 2023
- Fix out-of-bounds bug in omega that produces NaNs in jagged PosesStacks (#263)
  aleaverfay
  authored
  a43aa2f
- Fix bug with strides of 0 for non-Scalar enable_tensor_views of tensors (#262)
  aleaverfay
  authored
  7dbc025
Commits on Jul 3, 2023
- Fix pip installs (#259)
  fdimaio
  authored
  43301c9
Commits on Jun 20, 2023
- Aleaverfay/res centric rama (#252)
  aleaverfay
  authored
  1ebf577
Commits on Jun 12, 2023
- Implement disulfide score term (#254)
  jflat06
  authored
  98d1046

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