FPSim2

Getting started

Installation
Create a fingerprint database file
Limitations

CPU searches

Run Tanimoto similarity searches
Run Tversky searches
Run Tversky substructure screenouts
Compute a symmetric distance matrix

GPU searches

Run GPU similarity searches

FPSim2

»
Python Module Index

Python Module Index

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	`FPSim2`
	`FPSim2.base`
	`FPSim2.FPSim2`
	`FPSim2.FPSim2Cuda`
	`FPSim2.io`
	`FPSim2.io.backends`
	`FPSim2.io.backends.base`
	`FPSim2.io.backends.pytables`
	`FPSim2.io.chem`

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