#cheminformatics

SMILES Hover

adrianm0

Hover any SMILES string to see its 2D molecular structure, rendered with RDKit in ChemDraw style. Reaction SMILES are drawn with arrows. Molecules on screen are found automatically. No setup required.

Visualization #keybindings

33 5.0

Molaro

DominicFico

Stream and analyze molecular dynamics trajectories in VS Code, over SSH. GPU-rendered 3D viewer, a command grammar, and Python mods that run next to your data.

Data Science Machine Learning #python