/tools/gpusimilarity
gpusimilarity
schrodinger/gpusimilarity
110 stars24 forksC++Added February 4, 2026
summary
GPUSimilarity is a CUDA/Thrust implementation designed for efficient chemical fingerprint similarity searching using GPU acceleration. It integrates with RDKit for fingerprint generation and is intended for high-performance applications in cheminformatics.
description
A Cuda/Thrust implementation of fingerprint similarity searching
topics
gpuchemistrycheminformaticssimilarity-analysis
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