SAbDab

CCP4 — Collaborative Computational Project Number 4 software suite for macromolecular X-ray crystallography. Provides programs for data processing (AIMLESS, POINTLESS), molecular replacement (Phaser),

1 shared topic • 3 shared operations

EvoDiff — discrete diffusion models for protein sequence generation directly from evolutionary-scale data. Generates novel protein sequences without requiring 3D structures using order-agnostic autore

1 shared topic • 3 shared operations

FPocket — fast open-source protein pocket detection and druggability estimation using Voronoi tessellation and alpha spheres. Identifies binding sites on protein surfaces from PDB structures, scores p

1 shared topic • 3 shared operations

Use when working with OmegaFold to predict 3D protein structures from amino acid sequences without multiple sequence alignments (MSA-free). Covers single-sequence structure prediction, batch FASTA pro

1 shared topic • 3 shared operations

Use when working with SMINA — a fork of AutoDock Vina with improved scoring functions and flexible docking for structure-based virtual screening and lead optimization. SMINA extends Vina with custom s

1 shared topic • 3 shared operations