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polaris_antiviral_challenge
polaris_antiviral_challenge PublicData for the Polaris Antiviral Drug Discovery 2025 Challenge
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- OpenMMDL Public
Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
wolberlab/OpenMMDL’s past year of commit activity - AI_teaching Public Forked from sijie-liu97/AI_teaching
Teaching material for an 8th-semester pharmacy course at the FU Berlin on ligand based ML in computer aided drug design, with practical examples for preparing molecular data, training simple models, and interpreting their performance.
wolberlab/AI_teaching’s past year of commit activity - mdpath Public
MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral angle movements throughout an MD simulation.
wolberlab/mdpath’s past year of commit activity - europin-website Public
wolberlab/europin-website’s past year of commit activity
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