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MoleCode

MoleCode

Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.

293 6
MIT
 last commit 2026-06-04
ai-agentai-for-sciencechemistrycoding-agentlanguage-modellarge-language-modelsllmmolecodemolecular-modelingmolecular-structures
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Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.

Languages

Python100%

Contributors3

YZY-stack22ChenLiu-19967boxuan-zhao1

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Install
pip
Keywords
ai-agent
ai-for-science
chemistry
coding-agent
language-model
large-language-models
llm
molecode
molecular-modeling
molecular-structures
molecule
representation
smiles
smiles-code
smiles-strings
slug: molecode

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