AI Agent Skills

Dock small-molecule guests into a porous host material using the VOID library (Voronoi Clustering), generating multiple 3D conformers with RDKit and ranking generated co…

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

Build advanced procedural animation in Three.js. Use for launch kinematics, gravity turns, staging, spin docking, target-frame decomposition, spring-follow motion, rotat…

3Dmol.js WebGL molecular visualization emitted as self-contained HTML. Render structures (PDB/SDF/XYZ/MOL2/cube) with stick, sphere, cartoon, line, and surface styles; a…