PhD Computer Aided Drug Discovery - University of Münster
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WWU
- Münster
- https://orcid.org/0000-0003-0540-8702
- @SamuelHomberg
Popular repositories Loading
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SPP2363_Tutorial_PyTorch
SPP2363_Tutorial_PyTorch PublicAn introduction to PyTorch and PyTorch Geometric created for the SPP 2363.
Jupyter Notebook 2
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mutagenicity-dataset
mutagenicity-dataset PublicA curated version of the Mutagenicity dataset, as SMILES instead of graphs.
Python 2
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Protein-Ligand-Interaction-Graphs
Protein-Ligand-Interaction-Graphs PublicForked from MarcMoesser/Protein-Ligand-Interaction-Graphs
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virtual_screening_example
virtual_screening_example PublicA short notebook with a similarity based virtual screening example.
Jupyter Notebook 1
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