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JiaQ's Projects

agmp icon agmp

AutoGluon with multi-label prediction

casp-and-dataset-performance icon casp-and-dataset-performance

Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.

deepchem icon deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

gpt_academic icon gpt_academic

为GPT/GLM等LLM大语言模型提供实用化交互接口，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持chatglm3等本地模型。接入通义千问, deepseekcoder, 讯飞星火, 文心一言, llama2, rwkv, claude2, moss等。

hitea icon hitea

The High Throughput Experimentation Analyzer (HiTEA) modules as described in "Probing the Chemical 'Reactome' with High Throughput Experimentation Data" (King-Smith et al.).

pycirclize icon pycirclize

Circular visualization in Python (Circos Plot, Chord Diagram)

pyl3dmd icon pyl3dmd

PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package

workflows icon workflows

KNIME workflows developed in project using nodes developed in project.

yieldnotyield icon yieldnotyield

Supporting information for the "When yield prediction does not yield prediction: an overview of the current challenges"

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