AutoDock Vina

DiffDock — diffusion generative model for molecular docking that predicts protein-ligand binding poses. Uses a diffusion process over translations, rotations, and torsion angles to generate and rank d

2 shared topics • 2 shared operations

Gnina — deep learning molecular docking program built on AutoDock Vina. Uses convolutional neural networks (CNNs) to rescore protein-ligand poses for improved binding pose prediction and virtual scree

2 shared topics • 2 shared operations

PyMOL — molecular visualization system for rendering publication-quality 3D images of protein structures, nucleic acids, small molecules, electron density maps, and volumetric data. Provides interacti

2 shared topics • 1 shared operation

Deep learning system for protein structure prediction from amino acid sequence with atomic accuracy — revolutionized structural biology.

1 shared topic • 2 shared operations

Boltz-1 — open-source deep learning model for predicting biomolecular 3D structures and interactions, approaching AlphaFold3-level accuracy. Supports protein, DNA, RNA, and small-molecule ligand struc

1 shared topic • 2 shared operations