Niu Huang's Lab

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1. BindingNet BindingNet Public

   Jupyter Notebook 27 2

2. can-ai-do can-ai-do Public

   Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets

   UnrealScript 12 4

3. PANIP PANIP Public

   Robust machine learning interatomic potentials (MLIPs) that achieve accuracy comparable to the ωB97X-D3BJ/def2-TZVPP quantum mechanical method on non-covalent interactions.

   Python 10

4. generalization_benchmark generalization_benchmark Public

   Jupyter Notebook 9

5. benchmark_DOCK_Vina benchmark_DOCK_Vina Public

   Jupyter Notebook 3

6. flexible-docking flexible-docking Public

   GLSL 1