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Projects in Awesome Lists tagged with gnina

A curated list of projects in awesome lists tagged with gnina .

https://github.com/rmeli/gnina-torch

🔥 PyTorch implementation of GNINA scoring function for molecular docking

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

Last synced: 15 Oct 2024

https://github.com/rmeli/gninatorch-hf

🤗 Hugging Face space for gnina-torch 🔥

3dmol binding-affinity deep-learning gnina huggingface

Last synced: 15 Oct 2024