Index _ | A | B | C | D | E | G | H | M | N | P | T | U _ __init__() (nvmolkit.fingerprints.MorganFingerprintGenerator method) (nvmolkit.types.AsyncGpuResult method) A AsyncGpuResult (class in nvmolkit.types) B batchesPerGpu (nvmolkit.types.HardwareOptions property) batchSize (nvmolkit.types.HardwareOptions property) butina() (in module nvmolkit.clustering) C crossCosineSimilarity() (in module nvmolkit.similarity) crossCosineSimilarityMemoryConstrained() (in module nvmolkit.similarity) crossTanimotoSimilarity() (in module nvmolkit.similarity) crossTanimotoSimilarityMemoryConstrained() (in module nvmolkit.similarity) D device (nvmolkit.types.AsyncGpuResult property) E EmbedMolecules() (in module nvmolkit.embedMolecules) G GetFingerprints() (nvmolkit.fingerprints.MorganFingerprintGenerator method) gpuIds (nvmolkit.types.HardwareOptions property) H HardwareOptions (class in nvmolkit.types) M MMFFOptimizeMoleculesConfs() (in module nvmolkit.mmffOptimization) module nvmolkit MorganFingerprintGenerator (class in nvmolkit.fingerprints) N numpy() (nvmolkit.types.AsyncGpuResult method) nvmolkit module P pack_fingerprint (class in nvmolkit.fingerprints) preprocessingThreads (nvmolkit.types.HardwareOptions property) T torch() (nvmolkit.types.AsyncGpuResult method) U unpack_fingerprint (class in nvmolkit.fingerprints)
