MCP.Market

Molecular MCP server

by andylbrummer·io.github.andylbrummer/molecular-mcp·v0.1.6·2 stars
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GPU-accelerated MCP server for molecular dynamics, N-body simulations, and particle systems

B82/100grade B
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Safety scan
B82/100

full report

Adoption
New

2 stars

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If you have run it, two minutes of your experience saves the next person an afternoon.

Molecular tools (15, 4 write)

write = sends, deletes, buys or posts

Read from the package source without running it. The installed server may list more.

  • add_potential

    Add interaction potential

  • analyze_temperature

    Analyze thermodynamic properties

  • compute_msd

    Compute mean squared displacement

  • compute_rdf

    Compute radial distribution function

  • create_particleswrite action

    Initialize particle system

  • density_field

    Compute density field visualization

  • detect_phase_transition

    Detect phase transitions in trajectory

  • get_trajectory

    Retrieve trajectory data

  • info

    Progressive discovery

  • list_distributions

    List available built-in particle distributions

  • load_distribution

    Load particle distribution from config file

  • render_trajectory

    Render trajectory animation

  • run_mdwrite action

    Run molecular dynamics (NVE)

  • run_nptwrite action

    Run NPT (isothermal-isobaric) ensemble simulation

  • run_nvtwrite action

    Run NVT (canonical) ensemble simulation

Public scan report

scanner v0.1.10 · 2026-10-01 · same rubric, same numbers if you re-run it

no findings
  • Code scan5 source files scanned25/25
  • –Live reliabilityno gateway calls yet and no remote to proben/a
  • –Tool poisoningtools not inspected (local package is not executed); not countedn/a
  • Auth qualitylocal package, no credentials required12/15
  • Maintenancelast push 153 days ago8/15
  • Maintainer identityregistry namespace matches repository owner; GitHub account older than a year8/10
Overall 82/100. Components that don't apply are left out of the denominator. Any critical finding is an F.RubricAppeal a findingJSON

How Molecular compares

Against every graded MCP server, from our own scans and uptime checks. Updated after each scan run.

Safety score
82/100
higher than 63% of 48,255 servers
Tools
15
the typical server has 7
Tools that change things
27%
typical: 0%. Fewer write tools means less an agent can break
GitHub stars
2
more than 75% of 28,688 servers

What its tools let an agent do: 10 read · 2 create · 3 run or deploy

Install Molecular in Claude Code, Cursor or VS Code

claude mcp add molecular-mcp -- uvx scicomp-molecular-mcp
Add to Cursor

Molecular: common questions

Is Molecular MCP server safe?
Mostly: it is graded B (82/100). Read the Molecular safety report
How do I install Molecular?
It runs on your machine. Copy the Claude Code, Cursor, VS Code or Claude Desktop config from the install section.
Does Molecular need an API key?
Not as far as the registry entry and our scan can tell: no credentials are declared or required.
Is Molecular maintained?
The last commit was 186 days ago (2026-05-01). The latest release is v0.1.6.
How does Molecular compare with other MCP servers?
safety score 82/100 (higher than 63% of 48,255 servers); tools 15 (the typical server has 7); tools that change things 27% (typical: 0%. Fewer write tools means less an agent can break). Full comparison.

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