PhD student at TUM
Highlights
- Pro
Pinned Loading
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tummfm/CG-Mapping-Benchmark
tummfm/CG-Mapping-Benchmark PublicTesting different CG mappings with classical and machine learning potentials.
Jupyter Notebook 3
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plinder-org/plinder
plinder-org/plinder PublicProtein Ligand INteraction Dataset and Evaluation Resource
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tummfm/chemtrain
tummfm/chemtrain PublicTraining Neural Network potentials through customizable routines in JAX.
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