⚛️ untitled - GPFF-Paint
Plane
Depth 0
For Help, click Help Topics on the Help Menu.
Open
Look in: paintings/
File name:
Files of type:GPFF-Paint (*.atoms.json)
A file on your own disk (.atoms.json or .xyz)? Use File > Import instead.
Attributes
Atoms in picture: 0
Width:
Height:
Depth:
Units: 1 unit = default atom diameter (~1 Angstrom). Atoms outside the new box are cropped.
Edit Type Colors
Colors:
Color:0 Value: Hex:
Changing an entry recolours every atom of that type.
Atom Sizes
Pick a type, then set the radius of atoms of that type:
Color:0 Radius:
Validity (PoseBusters)
SMILES:
Unstable atoms are marked with ⚠ in the canvas. The marks vanish as soon as the molecule is modified.
About GPFF-Paint
⚛️GPFF-Paint
MS Paint, but in 3D, and with atoms instead of pixels. Relax sketches into molecules with GPFF.
All tool logic runs in Python; the browser only draws.
Code and installation: github.com/stefaanhessmann/gpff-paint. Run it on your own machine with your own GPU: pip install gpff-paint, see the README.
The model: GPFF, the Generative Pseudo-Force Field (paper). Trained on QM9, so it knows H, C, N, O and F molecules of up to 29 atoms.
Mouse: left = tool · right-drag = orbit · middle-drag = pan · wheel = zoom · Ctrl+wheel = plane depth · Alt = background colour.