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v0.7.0

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@github-actions github-actions released this 28 Jun 14:31
· 22 commits to main since this release
80d5f0c

Added

  • FreeSASA-compatible outputs: add FreeSASA-style calc output formats for interoperability with existing SASA workflows. (#382)
  • BSA workflow analysis: add batch workflow support for two-partner buried surface area / ΔSASA analysis. (#388)
  • Trajectory bitmask LUT modes: add configurable trajectory bitmask lookup-table reuse modes. (#387)

Changed

  • Benchmark website: refresh benchmark documentation and website assets. (#381)
  • Batch scheduling: allow explicit batch thread overcommit for I/O-bound file sets. (#384)
  • Bitmask SR accuracy controls: add experimental bitmask bias correction controls. (#386)

Fixed

  • Workflow parsing performance: optimize multi-chain workflow parsing. (#385)
  • Review hardening backlog: harden C ABI test coverage, input validation, parser correctness, Python reliability, release workflows, source-install checks, and docs/package metadata. (#389)