Andrew White

Deep learning for molecules and materials book

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Molecular bloom filter tool

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Make a bunch of molecules

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Natural language computational chemistry command line interface.

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Introduction to Numerical Methods and Statistics with Jupyter Notebooks & Python

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Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.

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N-Dimensional MD engine with symmetry group constraints

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LLM Chain for answering questions from documents with citations

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🥳emojis in chemistry⚗️🥳

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VMD Audio/Text control with natural language

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