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rinikerlab/GNNImplicitSolvent
rinikerlab/GNNImplicitSolvent PublicImplicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations
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rinikerlab/lightweight-registration
rinikerlab/lightweight-registration Publiclwreg is a lightweight registration system for chemical registration and data storage.
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rinikerlab/C-REMDforFRET
rinikerlab/C-REMDforFRET PublicInfluence of the fluorophore mobility on distance measurements by gas phase FRET
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