arm64
Apple Silicon
M-series Macs
macOS 14 Sonoma or newer
Download for Apple SiliconVerify download (SHA-256)
bb76f4fc27d0344e5dc60cb869c2f31f48dcb024d7f8ecdc5092cb581c3e3580SIMLAB DESKTOP
SimLab Desktop
Version 0.1.25 · Mac, Windows & Linux
Prepare, dock, build and analyse molecules on your computer.
GET THE APP
Choose your operating system
Separate builds for the right architecture.
macOS
Choose the chip inside your Mac.
Mac signing and installation details
x64
Intel
Intel-powered Macs
macOS 14 Sonoma or newer
Download for IntelVerify download (SHA-256)
1b7b166b30df3751ed442768b7c79b895e373939dd00197e1ade7c837cb5e6f6Windows
For 64-bit Intel and AMD computers.
x64
Windows 64-bit
Intel or AMD PCs running 64-bit Windows
Windows 10 (1809+) or Windows 11
Download for Windows 64-bitVerify download (SHA-256)
fee79ea035934f929a23e2d4d5374856fa7543903c09705ed93c7550b3a410a7Linux
For 64-bit Intel and AMD computers.
x64
Linux AppImage
Portable application for compatible Linux distributions
x86_64 · glibc 2.36 or newer
Download AppImageVerify download (SHA-256)
dd5aad8eccb3e801a8127bafdb202a534c403abdb91021ece2e5a828a447ac9bx64
Debian / Ubuntu
Package for Debian 12 or Ubuntu 24.04 and newer
amd64 · 64-bit Intel or AMD
Download Debian packageVerify download (SHA-256)
d75a12590f8eb950e66728685fd7efae764a34ecca633b073462f566b7a94975Installers include the scientific engines. Allow additional space for installation, projects and simulation results. Keep your existing projects backed up when updating.
Which download do I need?
Not sure which download to choose?
On a Mac
Open Apple menu → About This Mac. If it lists a Chip such as Apple M1 or M4, choose Apple Silicon. If it lists an Intel processor, choose Intel.
Both editions require macOS 14 or newer.
On Windows
Open Settings → System → About → System type. Choose this installer for a 64-bit operating system, x64-based processor.
A 32-bit Windows edition and a native Windows ARM edition are not currently available.
ACTIVATE YOUR WORKSPACE
Your desktop license, right here.
Copy the shared license below and paste it into SimLab Desktop when it first opens. No separate license account is needed.
Connect to the internet for activation.
Desktop activation is separate from GPU Compute. Compute requires your own SimLab account, access and credits.
LEARN THE WORKSPACE
Manual & practice files
All 19 tools, the complete workflow, troubleshooting and practice files.
For SimLab Desktop 0.1.25 · Updated 24 October 2026
Installation instructions
FROM DOWNLOAD TO FIRST PROJECT
Installation, step by step
Install on macOS
Both Mac editions are signed and notarized. Choose the edition matching your Mac’s chip.
- Download the matching Mac edition.Check your chip and macOS version using About This Mac.
- Open the .dmg file.Drag SimLab Desktop into your Applications folder. If updating, quit the running app first.
- Open SimLab Desktop.Launch it from Applications, then paste the shared license while online.
- Start exploring.Open the Viewer directly, or create a project and import your structures.
If macOS reports a problem
Stop installation and download a fresh copy from this page. Check the SHA-256 checksum above and contact support with the exact message if the problem continues. Keep macOS security protections enabled.
About opening downloaded apps on a Mac ↗Install on Windows
- Download the 64-bit installer.Save the .exe file to your computer and wait for the download to finish.
- Run the installer.Choose your installation location and follow the setup steps.
- Launch SimLab Desktop.Open it from the Start menu or desktop shortcut, then paste the shared license while online.
- Open a structure or project.The scientific tools are included; no separate GROMACS or Python installation is needed.
If Windows shows a protection prompt
This installer is not signed with a Windows publisher certificate. Check that the file came from simlabscience.com and compare its SHA-256 checksum above. If you trust the file and Windows offers the option, select More info → Run anyway. If your organization blocks installation, contact its IT team.
Install on Linux
- Choose one package.Use the DEB package on Debian 12 / Ubuntu 24.04 or newer, or AppImage on a compatible x86_64 distribution.
- Install or allow the app to run.For DEB, open your terminal in Downloads and run
sudo apt install ./Linux-Debian-Ubuntu-64bit-SimLab-Desktop-0.1.25.deb. For AppImage, enable “Allow executing file as program” in its properties, then open it. - Activate and open Local Lab.Paste the shared license while online. Choose a course folder to run GROMACS commands locally.
If AppImage does not open
Your distribution may need FUSE support. On supported Debian or Ubuntu systems, use the DEB package instead. Keep the application sandbox enabled and contact support if startup is blocked.
What changed in version 0.1.25?
WHAT’S NEW
Reliable system transfer from Build to Compute
Version 0.1.25 · Early access
- Reproducible docking. Validated uploaded PDBQT files are preserved. Docking reports record input hashes, random seed and Vina version, with unsuccessful ligands listed separately.
- Consistent receptor preparation. Preparation reports document omitted incomplete backbone residues. Identical settings repeat within a platform; Vina results can vary slightly across processors.
- Build directly to Compute. Transfer completed builds and imported CHARMM-GUI systems with their topology, referenced parameter files, index groups and simulation settings. Windows-style include paths are handled automatically.
- Compute controls. Monitor and cancel queued or running jobs. Structural preprocessing warnings remain visible and are not silently bypassed.
- Integrated molecular tools. Prepare structures, predict pockets, dock ligands, build systems and analyze trajectories within one desktop project.
- Local notebooks. Continue learning and analysis in the desktop workspace.
Windows passed native installation and docking checks; Windows publisher signing is not included in this release. Linux passed package, sandbox and publisher-signature checks. Both Mac editions are Developer ID signed, notarized and stapled.
Frequently asked questions
A few useful answers
Verify the Linux publisher signature
Both Linux packages have detached OpenPGP signatures. Download the signature beside your package and SimLab’s public signing key, then follow the verification instructions.
Key fingerprint: 41D2 8009 FF5C 9332 C9C9 7CC9 3963 9F36 408B 833C.
Where are the terminal tools’ licenses and source files?
Do I need to install GROMACS, Python or RDKit?
No. The desktop installers include the tools needed by the supported local workflows.
How do I open the analysis notebooks?
In SimLab Desktop, choose Notebooks and select your Local Lab workspace or a folder containing your analysis files. Jupyter opens in your browser and runs on your own computer. The notebooks and your trajectories stay local; no upload or separate Python installation is needed. Start with 00_START_HERE.ipynb, then choose an analysis and edit its filenames.
Can I work offline?
Activate while connected to the internet, then use the local tools offline. Online services—including GPU Compute, remote DFT and fetching structures or compounds—need an internet connection. License validation may also require reconnecting.
How will app updates work?
The app checks for newer releases while online. Choose Update now, then Restart and update after finishing your local work and saving your notebooks. Versions 0.1.15 and newer include the native updater configuration. You can always use the downloads above.
Why is the download large?
The installer includes scientific engines, a Python environment and ADMET model files so local work does not depend on installing those tools separately.