GitHub

PIGNet2: A versatile deep learning-based protein-ligand interaction prediction model for accurate binding affinity scoring and virtual screening

This repository is the official implementation of PIGNet2: A versatile deep learning-based protein-ligand interaction prediction model for accurate binding affinity scoring and virtual screening.
IEEE

Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions From 3D Structures

Abstract: Inductive bias in machine learning (ML) is the set of assumptions describing how a model makes predictions. Different ML-based methods for protein-ligand binding affinity (PLA) prediction ...
GitHub

woshialex/ORB-SLAM3-python

when lost, don't create new map (have bug), might just assume not moving, or switch to optical flow based method (which is supper fast) Python bindings generated using pybind11. We use a modified ...