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gnina

Here are 2 public repositories matching this topic...

RMeli / gnina-torch

🔥 PyTorch implementation of GNINA scoring function for molecular docking

deep-learning pytorch drug-discovery docking scoring-functions pytorch-ignite gnina

Updated Dec 23, 2024
Python

RMeli / gninatorch-hf

🤗 Hugging Face space for gnina-torch 🔥

deep-learning 3dmol huggingface binding-affinity gnina

Updated Sep 22, 2022
Python

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