Structural Biology
Showing 12 of 12 projects
Open source implementation of AlphaFold 2, a deep learning system for highly accurate protein structure prediction.
AlphaFold 3 is an AI model that predicts the 3D structures of proteins and their interactions with other biomolecules like DNA, RNA, and ligands.
A trainable, memory-efficient PyTorch reproduction of AlphaFold 2 for protein structure prediction.
A deep learning system for accurate protein structure and interaction prediction using a three-track neural network.
WebGL-accelerated JavaScript library for interactive molecular visualization in web applications.
High-resolution de novo protein structure prediction from amino acid sequences using deep learning.
A Python package for analyzing protein structure, dynamics, and sequence evolution with a comprehensive API and GUI.
A dependency-free cross-platform Swiss Army knife for manipulating and editing Protein Data Bank (PDB) files.
Official implementation of a 3D equivariant diffusion model for generating drug-like molecules that bind to specific protein targets and predicting their binding affinity.
A curated list of resources for molecular docking, protein-protein docking, and related computational biology tasks.
A virtual machine containing all software and sample data to run 3D-e-Chem KNIME workflows for structural cheminformatics.
A web application for generating small ligand conformers for molecular docking using RDKit.
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