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AI_teaching
AI_teaching PublicForked 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…
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MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral angle movements throughout an MD simulation.
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Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
- 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.
- europin-website Public
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