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I am a senior ML scientist at Pfizer. Previously developed libraries at UC Berkeley and SUNY Buffalo.
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Pfizer
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hachmannlab/chemml
hachmannlab/chemml PublicChemML is a machine learning and informatics program suite for the chemical and materials sciences.
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THGLab/X-EISD
THGLab/X-EISD PublicX-EISD – Extended Experimental Inferential Structure Determination
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hachmannlab/chemlg
hachmannlab/chemlg PublicChemLG is a smart and massive parallel molecular library generator for chemical and materials sciences.
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hachmannlab/chemeco
hachmannlab/chemeco PublicA General-Purpose Framework for Data Mining Without Coding.
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