pub_soft/boltzgen
3
0
Fork 0
mirror of https://github.com/HannesStark/boltzgen.git synced 2026-06-04 11:54:23 +08:00
Code Issues Packages Projects Releases Wiki Activity
93 Commits 8 Branches 10 Tags
39c87c65d6885ad80c6a9007caaa41c9f340e623
Commit Graph

2 Commits

Author SHA1 Message Date
Harald Buerbaumer
39c87c65d6 fix: resolve inverse-fold constraint conflicts with global avoid 
Idead by buerbaumer@ and quality checked with Codex 5.3
 2026-02-16 13:11:09 -05:00
Harald Buerbaumer
0822cb3b71 fix: pad constraint mask for file entities, add tests and examples 
- Fix crash when YAML combines residue_constraints with file entities
  (missing res_aa_constraint_mask concatenation for CIF-loaded chains)
- Add CPU-only unit tests for constraint parsing (30 tests, no GPU needed)
- Add residue_constraints_test.yaml example
- Update showcase YAML with residue_constraints demo

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
 2026-02-16 13:11:09 -05:00