From research material
to the next discovery.

Connect targets, structures, pockets and candidates. Explore small molecules, biologics, screening and DEL with guided tasks and 2D / 3D workspaces.

Get the release View the source

Open source · Apache-2.0 · v0.4.52

AI-generated concept art

Who it is for

Medicinal chemists, biologics researchers and computational scientists

Environment

Windows / Linux / WSL; scientific engines have separate installations

First-party source license

Apache-2.0

CAPABILITIES

Made for the work you do

Prepare tasks by research question, choose models and inspect outputs

Connect structures, molecular tables, sequences and 2D / 3D results

Work across small molecules, biologics, high-throughput screening and DEL

Preserve original material, derived versions and task provenance

Actual X-DDE v0.4.49 interface: structures and pockets from the public BRD4–JQ1 research example. Image source & context

YOUR FIRST WORKFLOW

A place to begin

01
Prepare targets and structures
02
Run a research task
03
Compare candidates and results

Explore the documentation

Before you choose

Execution depends on the selected scientific engine, models, inputs and hardware. Model confidence, geometry, docking scores and measured activity have distinct meanings.

Based on public repository material, reviewed on 2026-10-08. README

From research materialto the next discovery.

Made for the work you do

Prepare tasks by research question, choose models and inspect outputs

Connect structures, molecular tables, sequences and 2D / 3D results

Work across small molecules, biologics, high-throughput screening and DEL

Preserve original material, derived versions and task provenance

A place to begin

Prepare targets and structures

Run a research task

Compare candidates and results

Before you choose

Find your next research tool.

X-Science

X-Pharma

From research material
to the next discovery.