Jensen Group

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icon location University of Copenhagen icon location Jan H. Jensen Research Group of the Department of Chemistry, University of Copenhagen

Results 6 repositories owned by Jensen Group

xyz2mol

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Converts an xyz file to an RDKit mol object

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GB-GM

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Graph-based generative model

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GB_GA

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Graph-based genetic algorithm

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molcalc

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MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online

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propka

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PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

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protonator

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Quick and dirty protonation

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