Projects in Awesome Lists tagged with scoring-functions
A curated list of projects in awesome lists tagged with scoring-functions .
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: 17 Oct 2025
https://github.com/adam-maz/virtual_screening
Within this repository I present scripts that can be helpful during virtual screening in drug design & development.
clusterization jupyter-notebook k-means-clustering maestro-schrodinger medicinal-chemistry molecular-fingerprints pandas python rdkit scikit-learn scoring-functions virtual-screening
Last synced: 04 May 2026
