01See it in 3D
Mol3D
- In
- SMILES, file or drawing
- Out
- 2D and 3D views
- Size
- 16 MB
- Sends
- Visit count
Drug-discovery lab in your tab
02See the pocket
Pocket2D
- In
- File, or PDB code from RCSB
- Out
- 2D diagram (SVG), 3D view
- Size
- 24 MB
- Sends
- Visit count; PDB code to RCSB
03Find targets
Target-ID
- In
- SMILES or drawing
- Out
- Ranked targets, ligands
- Size
- 215 MB first visit
- Sends
- Visit count
04Link two ligands
LinkerBuilder3D
- In
- Structure with two ligands
- Out
- Routes, verdict, 3D placements
- Size
- 22 MB
- Sends
- Visit count
What it is
TabLab-Hub is an ongoing project of free drug-discovery tools.
Mol3D shows a molecule in 2D and 3D, builds its 3D structure and lets you move its atoms by hand.
Pocket2D draws a ligand and the residues around it in 2D from a PDB entry or a structure file.
Target-ID finds molecules similar to your query, with their associated targets.
LinkerBuilder 3D helps design bivalent ligands by linking two bound ligands in 3D.
Each tool is simply a web page.
The page hosts all the software, and all calculations are done on your own computer.
Molecules and structures are processed in your browser tab and are never uploaded elsewhere.
The tools count visits anonymously: a request to their own address, with no cookie and no identifier, of which only the day, the kind of visit and your country are kept.
As with any web host, Cloudflare sees your connection's address.
There is no account and no fee, for research or for business. The databases inside the tools keep their own licences, listed under Credits.
Is anything uploaded?
No. Molecules and structures stay in your browser tab. Each tool counts visits anonymously. Pocket2D sends a PDB code to RCSB when it fetches an entry, including from a link that names one or draws one.
How do I open a tool on a molecule or a structure?
Use a card's Random button, or link to a tool with the address forms in llms.txt: Mol3D and Target-ID accept #smiles= or #random, Pocket2D #pdb=CODE or #random. What follows the # is not sent to the tool's own server.
How do I cite them?
Cite the web address of the page you used.
Credits
- Data
- ChEMBL CC BY-SA 3.0 · BindingDB CC BY 3.0 · wwPDB CC0 · PubChem · COCONUT CC BY 4.0 · LOTUS CC0
- Code
- RDKit BSD · Pyodide MPL-2.0 · NumPy BSD · networkx BSD · pysmiles Apache-2.0 · 3Dmol.js BSD-3 · JSME BSD-3 · SmilesDrawer MIT · JSZip MIT
- Cite
- Kim 2025 (PubChem) · Chandrasekhar 2025 (COCONUT) · Rutz 2022 (LOTUS)