DeepLoc

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

2 shared topics • 1 shared operation

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 • 1 shared operation

P2Rank — fast machine learning tool for predicting ligand binding sites from protein structure. Uses random forest classifier on physicochemical and geometric features of solvent-accessible surface po

2 shared topics • 1 shared operation

ProteinMPNN — deep learning-based protein sequence design from backbone structures. Uses message passing neural networks to predict amino acid sequences that fold into a given 3D backbone. Supports fi

2 shared topics • 1 shared operation

RoseTTAFold — deep learning-based protein structure prediction using a three-track neural network architecture for simultaneous processing of 1D sequence, 2D distance maps, and 3D coordinates. Predict

2 shared topics • 1 shared operation