Protein molecular dynamics
Prepare PDB structures, solvate systems, run GROMACS or OpenMM on GPU, then review convergence evidence and saved provenance.
GROMACSOpenMM
Apple-silicon technical beta
Plan one run—or
an entire campaign.
Turn a research goal into a reviewable, checksum-bound draft. The Assistant can propose a single workflow or a staged campaign; you approve it, choose validated compute, and launch each run.
Community local workflows run without sign-in. Release assurance is published in the checksum-bound manifest beside the download.
- Build
- Loading release manifest…
- Size
- Loading…
- SHA-256
- View full checksum
ILLUSTRATIVE DRAFT / BASIC MD
Protein stability · 10 ns draft
Draft checked
01
PrepareSchema · inputs · pH 7.0
02
Select computeValidate engine · GPU · runtime
03
Approve & launchUser action · checksums · provenance
RUNTIME PENDING TARGET
COMPUTE COST PENDING ROUTE
ARTIFACT MODE CHECKSUM-BOUND
01 / WORKFLOWS
A research goal becomes
the launch checklist.
Molsim writes the draft before execution: structure preparation, engine, resources, expected artifacts, and recovery behavior are visible before the job leaves your desktop. Every adapter shows its own readiness, evidence level, requirements, and limitations.
Drug discovery campaigns
Dock compounds and rank poses or compound hypotheses while keeping inputs attached. Docking scores are not affinity, efficacy, selectivity, or safety.
Enhanced sampling
Configure well-tempered metadynamics with GROMACS and PLUMED. Convergence requires expert review; umbrella sampling and replica exchange are not included in 0.1.
Design and discovery
Access selected beta and experimental mutation, protein, enzyme, aptamer, and materials adapters. Generated candidates require independent validation.
Single runs and staged campaigns
Use your chosen model provider to propose checksum-bound drafts from the workflow registry and selected project context. You separately approve, select compute, and launch.
02 / COMPUTE
Choose the machine
before the job leaves.
Your workstation
Run without sign-in, upload, or Molsim infrastructure charge using your installed GROMACS or OpenMM GPU runtime.
Included freeYour lab or cloud
Configure contract-tested SSH, scheduler, Kubernetes, and cloud-batch adapters. Every destination must pass live identity, capability, runtime, quota, and cleanup checks.
Destination validation requiredMolsim Cloud
Planned managed-cloud beta. Launch remains unavailable until live quota, pricing, billing, recovery, cancellation, and cleanup gates pass.
Planned · unavailable03 / ACCESS
Core local runs are $0.
GPU time stays separate.
Community covers core local beta workflows. Pro grants access to selected beta and experimental adapters; external runtimes, licenses, compute, and scientific validation remain separate.
PLANWORKFLOWSSEATSPRICE
Molsim CloudManaged compute is not yet available
Pricing, quota, billing, cancellation, recovery, and cleanup acceptance gates remain open. No managed job can launch from the technical beta.
04 / DOWNLOAD
Apple-silicon
release status.
The public-beta download activates only after the macOS artifact is Developer ID signed, Apple-notarized, stapled, and checksum-verified. Intel Mac, Windows, and Linux stay unavailable until their own release acceptance tests pass.
macOSApple silicon · release verification pendingPENDING
Intel MacBuild and validation pendingSOON
WindowsRelease validation in progressSOON
LinuxRelease validation in progressSOON
05 / OPTIONAL RESEARCH LIST
Tell us what you
need to simulate.
The public technical beta download will open after release acceptance passes. Optionally join the product-research list for release notes, workflow updates, and research invitations.
- Who it is for
- Researchers, engineers, lab leads, and advanced students
- What we collect
- Contact details, research use case, and compute environment
- What we do not need
- Structures, sequences, unpublished results, or credentials
06 / QUESTIONS
Clear boundaries
before the first run.
Is the app really free to use?
Yes. Community workflows run locally without an account or subscription once the signed and notarized public-beta installer is released. Pro grants access to selected beta and experimental adapters; required runtimes and compute remain separate.
Does Pro include cloud compute?
No. Pro changes workflow access only. Local and BYOC runs use your hardware or provider account. Molsim Cloud is planned and unavailable in this beta.
Do you provide the GPUs?
Not yet. Managed compute remains disabled until live quota, pricing, billing, recovery, cancellation, and cleanup acceptance tests pass.
Can I use my university cluster?
You can configure contract-tested adapters for common schedulers and cloud-batch systems. Each real destination must pass Molsim’s live identity, capability, runtime, quota, and cleanup checks before scientific use.
How do I install the macOS technical beta?
When the production download activates, verify the published checksum, drag Molsim into Applications, and open it. Evaluation candidates remain unavailable from the public call to action.
Does Horus orchestrate every campaign?
No. Molsim’s native campaign graph coordinates single and multistage drafts. Horus is an off-by-default, server-configured experimental canary limited in 0.1 to one local Basic MD task; it is not the general campaign engine.
APPLE-SILICON TECHNICAL BETA
Keep custody visible.
Join the research listShape what ships next