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nvMolKit
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nvMolKit
Table of Contents
Overview
Molecular similarity on GPU
nvMolKit APIs
MorganFingerprintGenerator
pack_fingerprint
unpack_fingerprint
crossTanimotoSimilarity
crossTanimotoSimilarityMemoryConstrained
crossCosineSimilarity
crossCosineSimilarityMemoryConstrained
EmbedMolecules
MMFFOptimizeMoleculesConfs
butina
AsyncGpuResult
HardwareOptions
Changelog
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