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Christopher Secker's Projects

gpusimilarity icon gpusimilarity

A Cuda/Thrust implementation of fingerprint similarity searching

isokann.jl icon isokann.jl

Invariant subspaces of Koopman operators with artificial neural networks

moflow icon moflow

MoFlow: an invertible flow model for generating molecular graphs

vflp icon vflp

VirtualFlow for Ligand Preparation

vfvs icon vfvs

VirtualFlow for Virtual Screening

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