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computational-chemistry-agent

provenance:github:dakshitha-a/computational-chemistry-agent

Conversational, WebMO-style agent for quantum chemistry: local LLM + LangGraph + PySCF/ORCA/BAGEL

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First discoveredAug 13, 2026

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platformgithub
first seenAug 12, 2026
last updatedAug 12, 2026
last crawledtoday
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