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v0.6.0

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@keceli keceli released this 19 Jul 22:29
· 392 commits to main since this release
203e18c

What's Changed

  • Modified the EL backend implemenations, and added a EL backend test by @harikrishna1410 in #127
  • Add ChemGraph Academy persistent agent runtime and dashboard by @JinchuLi2002 in #131
  • Merge el_test into dev-globus-hpc: EL subprocess rework + HPC fixes by @tdpham2 in #133
  • Update existing backends (Parsl, EL, Globus Compute, Globus Transfer) to ChemGraph by @tdpham2 in #132
  • fix(academy,agent): PR-120 follow-up — optional-dep contract + calculator wiring by @JinchuLi2002 in #134
  • Add pluggable execution backends, HPC MCP servers, and Academy multi-agent campaigns by @tdpham2 in #120
  • Update ChemGraph evaluation by @tdpham2 in #138
  • Fix Streamlit UI bugs: render crash, IR modes, math heuristic, config… by @keceli in #143
  • Fix relative path resolution in tool file readers by @reowszer in #142
  • Integrate dev: execution backends, Academy multi-agent, CGFastMCP, HPC/Globus by @tdpham2 in #139
  • Rename PyPI distribution to chemgraph + add README long_description by @keceli in #148
  • Thanks to Eduardo Bogado @eduardob999 for graciously giving up the chemgraph PyPI name so this project could adopt it. We really appreciate it.

New Contributors

Full Changelog: v0.5.0...v0.6.0