/tools/SECSE

SECSE

KeenThera/SECSE

86 stars19 forksPythonAdded February 4, 2026
summary

SECSE is a platform for systemic evolutionary chemical space exploration aimed at drug discovery. It utilizes deep learning and fragment-based design to generate novel small molecules, enhancing the hit-finding process in drug development.

description

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

topics

chemical-space-explorationfragment-based-drug-discoverydeep-learningde-novo-drug-design

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