Niels Maeder's starred repositories

knime-lwreg

KNIME nodes for working with lwreg

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NonadditivityAnalysis

The NonadditivityAnalysis tool offers an extensive statistical examination of nonadditivity (NA) within Structure-Activity Relationship (SAR) datasets pertaining to small molecules.

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rdkit

The official sources for the RDKit library

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rdkit

The official sources for the RDKit library

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DASH-tree

Partial Charge assignment for Molecular Dynamics

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rdkit

The official sources for the RDKit library

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