Lists (6)
awesome-3d/2d-viewers
awesome list of 2d and 3d protein structures viewer tools, scriptsAwesome-Protein-Design
A curated collection of state-of-the-art resources for computational protein design, including Generative AI, Deep Learning, and physics-based tools.awesome-TCR
A curated collection of state-of-the-art T-cell receptor (TCR) tools and models published exclusively in Nature, Science, Cell and PreprintsLinux-stuff
list of some linux toolsOPENMM/ML-Forcefields
ML-Frocefieldssmall-molecule-generative-AI
collection of generative models for small molecules, covering Diffusion Models, Geometric Deep Learning, and Flow-based methods for de novo small mol designStars
🤱🏻 Turn any webpage into a desktop app with one command.
Combines FRESEAN mode analysis of a protein (based on a CG representation) with enhanced sampling using metadynamics
Show probe contact dots within PyMol
Feynman-Kac steering for controllable protein diffusion
Code for the DISCO model: General Multimodal Protein Design Enables DNA-Encoding of Chemistry
openmm-mdflow is a standalone OpenMM YAML workflow runner for MD-only simulations. It builds protein/ligand/cofactor systems, supports espaloma/openff/gaff ligands, runs minimization + NVT/NPT step…
A bare metal Python library for building and manipulating protein molecular structures
Protein and molecule viewer, editor, simulator
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Joint sequence and structure generation with RoseTTAFold sequence space diffusion
Terminal protein structure viewer — interactive 3D visualization of PDB/mmCIF structures with cartoon ribbons, braille rendering, and Sixel/Kitty graphics
A Rust reimplementation of PyMOL molecular visualization
🧬 Design proteins efficiently with ProteinDJ, a Nextflow pipeline integrating key software tools for binder design and parameter optimization.
Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling