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Pull requests: argonne-lcf/ChemGraph

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Pull requests list

chore(deps): bump pytest from 8.4.1 to 9.0.3 dependencies Pull requests that update a dependency file python Pull requests that update python code
#225 opened Aug 31, 2026 by dependabot Bot Loading…
chore(deps): bump streamlit from 1.48.1 to 1.54.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#224 opened Aug 31, 2026 by dependabot Bot Loading…
fix: start the Streamlit UI on macOS and contain native TBLite crashes
#222 opened Aug 27, 2026 by keceli Contributor Loading…
1
Add configurable reasoning effort for GPT-5.6 and Claude Opus
#220 opened Aug 26, 2026 by tdpham2 Collaborator Loading…
8 of 10 tasks
3
Add reusable Deep Agent workflow
#219 opened Aug 26, 2026 by tdpham2 Collaborator Loading…
9 of 10 tasks
2
Cache Anthropic prompts and capture token usage
#218 opened Aug 25, 2026 by tdpham2 Collaborator Loading…
7 of 10 tasks
1
Add full-XPU llama.cpp inference recipes for ALCF Aurora
#208 opened Aug 21, 2026 by williamyxl Collaborator Loading…
7 of 10 tasks
1
Add first-class Aurora on-node inference provider (aurora:)
#207 opened Aug 21, 2026 by williamyxl Collaborator Loading…
8 of 10 tasks
1
feat(iri): MCP server + skill card for ALCF IRI tools
#199 opened Aug 20, 2026 by JinchuLi2002 Collaborator Loading…
4 of 5 tasks
2
Add runtime-selectable MLIP calculation tools
#179 opened Aug 14, 2026 by tdpham2 Collaborator Loading…
4 of 10 tasks
1
academy: Codex ChatGPT-subscription end-to-end (no Argo)
#170 opened Aug 7, 2026 by JinchuLi2002 Collaborator • Draft
2 tasks
Make mace-torch an optional extra
#169 opened Aug 5, 2026 by reowszer Collaborator Loading…
8 of 10 tasks
2
Add an Aurora Quantum ESPRESSO long-run cap-to-resume example
#164 opened Jul 31, 2026 by reowszer Collaborator • Draft
6 of 10 tasks
Add wall-clock cap, run manifest, and chemgraph resume for long-running calculations
#163 opened Jul 31, 2026 by reowszer Collaborator Loading…
6 of 10 tasks
1
Add VASP and Quantum ESPRESSO plane-wave DFT calculators
#162 opened Jul 31, 2026 by reowszer Collaborator Loading…
7 of 10 tasks
4
academy: fresh-install fixes
#160 opened Jul 29, 2026 by JinchuLi2002 Collaborator Loading…
6 tasks done
23
Fix target-scoped single-agent tool validation
#145 opened Jul 10, 2026 by rockyzl Loading…
2
Tugbey phonon
#129 opened Jun 4, 2026 by tugbey89 Collaborator Loading…
ProTip! What’s not been updated in a month: updated:<2026-07-31.