Atlas / MCP servers / pathintegral-institute / MCP.science: Open Source MCP Servers for Scientific Research

MCP.science: Open Source MCP Servers for Scientific ResearchCAUTION

mcp/pathintegral-institute/mcp-science

Open Source MCP Servers for Scientific Research

Verdict
CAUTION
Grade
B
Trust score
86 /100
Exposed tools
42 24r · 14w · 4d
Transport
stdio · streamable-http
License
MIT
Stars
152
01

Overview

From the repository's own README, as read at the audited commit. Badges and raw HTML are left out.

[](https://opensource.org/licenses/MIT)

Join us in accelerating scientific discovery with AI and open-source tools!

Quick Start

Running any server in this repository is as simple as a single command. For example, to start the web-fetch server:

uvx mcp-science web-fetch

This command handles everything from installation to execution. For more details on configuration and finding other servers, see the "How to configure MCP servers for AI client apps" section below.

Table of Contents

  • About
  • What is MCP?
  • Available servers in this repo
  • How to integrate MCP servers into LLM
  • How to build your own MCP server
  • Contributing
  • License
  • Acknowledgments
  • Citation

About

This repository contains a collection of open source MCP servers specifically designed for scientific research applications. These servers enable Al models (like Claude) to interact with scientific data, tools, and resources through a standardized protocol.

What is MCP?

MCP is an open protocol that standardizes how applications provide context to LLMs. Think of MCP like a USB-C port for AI applications. Just as USB-C provides a standardized way to connect your devices to various peripherals and accessories, MCP provides a standardized way to connect AI models to different data sources and tools. MCP helps you build agents and complex workflows on top of LLMs. LLMs frequently need to integrate with data and tools, and MCP pro
Read from source at commit 7168561a9c98OBSERVED · 2026-10-07
02

Connect

Built from this server's own package name, version and transport as found in its source — not copied from anyone's documentation, so it cannot drift against a page we do not control. Replace the environment placeholders with a token scoped to the least it needs.

claude-code
claude mcp add web-fetch --env JINA_API_KEY=${JINA_API_KEY} --env JUPYTER_SERVER_TOKEN=${JUPYTER_SERVER_TOKEN} --env MP_API_KEY=${MP_API_KEY} --env NEMAD_API_KEY=${NEMAD_API_KEY} -- uvx web-fetch
claude-desktop
{
  "mcpServers": {
    "web-fetch": {
      "command": "uvx",
      "args": [
        "web-fetch"
      ],
      "env": {
        "JINA_API_KEY": "${JINA_API_KEY}",
        "JUPYTER_SERVER_TOKEN": "${JUPYTER_SERVER_TOKEN}",
        "MP_API_KEY": "${MP_API_KEY}",
        "NEMAD_API_KEY": "${NEMAD_API_KEY}"
      }
    }
  }
}
03

Exposed tools (42)

24 read · 14 write · 4 destructive. Blast radius: 4 tools can delete or overwrite — an agent that can be talked into calling a tool can be talked into calling this one.

ToolRiskDescription
addwriteAdd two numbers.
analyze_eigenstatereadAnalyze a specific eigenstate of a quantum system.
analyze_ground_statereadAnalyze the ground state properties of a quantum system.
build_supercellread
check_calculation_resultread
compute_energy_spectrumreadCompute the energy spectrum of a quantum system.
create_new_projectwrite
create_quantum_systemwriteCreate a new quantum system for analysis.
create_structure_from_cifwrite
create_structure_from_poscarwrite
create_tablewriteCreates a new table in the database.
delete_documentsdestructiveDeletes documents from the specified table.
delete_quantum_systemdestructiveDelete a quantum system and its associated data.
display_numerical_resultreadDisplays a saved plot for a given quantum system analysis.
drop_tabledestructiveDrops the specified table from the database.
execute_mathematicawrite
generate_plotreadGenerate plots for quantum system analysis.
get_image_of_flowerreadGet an image of flower
get_system_detailsreadGet detailed information about a specific quantum system.
insert_documentwriteInserts a document into the specified table.
list_quantum_systemsreadList all available quantum systems.
moire_homobilayerread
nemad_formula_searchreadSearch for materials by exact chemical formula in NEMAD database.
nemad_list_cachereadList all available cached search results.
nemad_read_resultsreadRead specific range of cached search results.
nemad_searchreadSearch for materials by elements in NEMAD database.
parameter_sweepreadPerform a parameter sweep for a quantum model.
plot_structureread
plot_xywriteGenerate a generic 2D plot and save it to a file.
purge_tabledestructiveRemoves all documents from the specified table.
query_documentsreadQueries documents from the specified table.
read-image-urlreadRead images from URLs, convert to base64, and return the image content.
search_materials_by_formularead
select_material_by_idread
set_hamiltonianwriteSet the Hamiltonian for a quantum system with optional parameter ranges for sweeps.
set_hilbert_spacewriteSet the Hilbert space for a quantum system.
set_latticewriteSet the lattice geometry for a quantum system.
start_calculationwrite
txyz_search_smartreadreturn await _search(
txyz_search_webreadreturn await _search(
update_documentswriteUpdates documents in the specified table.
verify_derivationread
04

Trust audit

CAUTIONgrade B · trust 86/100 Install with care. The audit found things worth knowing before you trust its output.

LayerWhat it checksResult
L0Provenance & inventoryPASS
L1Static analysis of the codeWARN
L2Instruction surface (what it tells the agent)PASS
L3Class-specific surfaceWARN
L4Behavioural (sandbox)SKIPPED

What the source does

Filesystem
declared (5 observation(s))
Network
declared (5 observation(s))
Shell
declared (1 observation(s))
Dependencies
pinned
Secrets in source
none-found

Findings (18)

MEDIUMCode injection · code.dynamic_import · CWE-78, CWE-94, CWE-95
servers/python-code-execution/src/python_code_execution/local_python_executor.py:1106
raw_module = __import__(expression.module, fromlist=[
MEDIUMObfuscation / stealth · obf.base64_blob · CWE-506, CWE-94
servers/example-server/src/example_server/main.py:37
image_base64 = "iVBORw0KGgoAAAANSUhEUgAAAB4AAAAeCAYAAAA7MK6iAAAAIGNIUk0AAHomAACAhAAA+gAAAIDoAAB1MAAA6mAAADqYAAAXcJy6UTwAAAAGYktHRAD/AP8A/6C9p5MAAAAJcEhZcwABGUAAARlAAYDjddQAAAAHdElNRQfpBBUNAgfLUoX1AAAA
MEDIUMFilesystem / path · mcp.destructive_tools · CWE-22, CWE-59
delete_documents, delete_quantum_system, drop_table, purge_table
Why it matters. 4 tool(s) can delete or overwrite
Fix. prefer a read-only mode or scoped tokens; the page states the blast radius
LOWInventory / provenance · inv.hidden_file · CWE-1104
servers/example-server/.dxtignore
.dxtignore
Why it matters. hidden member outside the usual dotfiles
Fix. review its purpose
LOWInventory / provenance · inv.hidden_file · CWE-1104
servers/gpaw-computation/.all-contributorsrc
.all-contributorsrc
Why it matters. hidden member outside the usual dotfiles
Fix. review its purpose
LOWInventory / provenance · inv.hidden_file · CWE-1104
servers/gpaw-computation/.dxtignore
.dxtignore
Why it matters. hidden member outside the usual dotfiles
Fix. review its purpose
LOWInventory / provenance · inv.hidden_file · CWE-1104
servers/jupyter-act/.dxtignore
.dxtignore
Why it matters. hidden member outside the usual dotfiles
Fix. review its purpose
LOWInventory / provenance · inv.hidden_file · CWE-1104
servers/materials-project/.all-contributorsrc
.all-contributorsrc
Why it matters. hidden member outside the usual dotfiles
Fix. review its purpose
LOWFilesystem / path · fs.traversal · CWE-22, CWE-59
src/mcp_science/__init__.py:12
DEV_SERVERS_PATH = (Path(__file__).parent / '../../servers').resolve()
LOWObfuscation / stealth · obf.base64_blob · CWE-506, CWE-94
docs/how-to-build-your-own-mcp-server-step-by-step.md:161
image_base64 = "iVBORw0KGgoAAAANSUhEUgAAAB4AAAAeCAYAAAA7MK6iAAAAIGNIUk0AAHomAACAhAAA+gAAAIDoAAB1MAAA6mAAADqYAAAXcJy6UTwAAAAGYktHRAD/AP8A/6C9p5MAAAAJcEhZcwABGUAAARlAAYDjddQAAAAHdElNRQfpBBUNAgfLUoX1AAAA
LOWObfuscation / stealth · obf.base64_blob · CWE-506, CWE-94
docs/how-to-build-your-own-mcp-server-step-by-step.md:206
image_base64 = "iVBORw0KGgoAAAANSUhEUgAAAB4AAAAeCAYAAAA7MK6iAAAAIGNIUk0AAHomAACAhAAA+gAAAIDoAAB1MAAA6mAAADqYAAAXcJy6UTwAAAAGYktHRAD/AP8A/6C9p5MAAAAJcEhZcwABGUAAARlAAYDjddQAAAAHdElNRQfpBBUNAgfLUoX1AAAA
INFOPrompt injection · prompt.credential_read · CWE-94, CWE-1427
docs/integrate-mcp-server-step-by-step.md:156
### 5ire (open source, need AI API key, macOS / Linux / Windows)
Why it matters. asks the agent to read credentials
INFOPrompt injection · prompt.credential_read · CWE-94, CWE-1427
docs/integrate-mcp-server-step-by-step.md:253
### Goose Desktop (open source, need AI API key, macOS / Linux)
Why it matters. asks the agent to read credentials
INFOSupply chain · prompt.pipe_to_shell · CWE-829, CWE-1357
README.md:117
curl -sSf https://astral.sh/uv/install.sh | bash
INFOSupply chain · prompt.pipe_to_shell · CWE-829, CWE-1357
docs/how-to-build-your-own-mcp-server-step-by-step.md:88
curl -LsSf https://astral.sh/uv/install.sh | sh
INFOSupply chain · prompt.pipe_to_shell · CWE-829, CWE-1357
docs/integrate-mcp-server-step-by-step.md:45
curl -LsSf https://astral.sh/uv/install.sh | sh
INFOSupply chain · prompt.pipe_to_shell · CWE-829, CWE-1357
servers/gpaw-computation/README.md:13
curl -LsSf https://astral.sh/uv/install.sh | sh
INFOSupply chain · prompt.pipe_to_shell · CWE-829, CWE-1357
servers/gpaw-computation/server_package/README.md:15
curl -LsSf https://astral.sh/uv/install.sh | sh

Gates applied: no_behavioural_pass.

Audited 2026-10-07 · audit v0.4.1 · source sha 7168561a9c98full audit observations/trust-audit/mcp-server/pathintegral-institute__mcp-science.json · Report an issue / request a re-scan
05

Audit history

Every audit this server has had. A grade with a past is a grade somebody is still checking.

DateSourceVerdictGradeScoreChange
2026-10-077168561a9c98CAUTIONB86first audit
06

Questions

What is the MCP.science MCP server?

Open Source MCP Servers for Scientific Research

What tools does MCP.science expose?

42 in total: 24 read-only, 14 that write, and 4 that can delete or overwrite (delete_documents, delete_quantum_system, drop_table, purge_table). Every one is listed on this page with its risk.

Is MCP.science safe to connect to an agent?

With care. The audit graded it B (86/100) and found 18 things worth knowing before you trust this server, listed below with the exact line each was found on. Separately from the audit: 4 of its tools can destroy data, so scope the token you give it to what you actually need.

What credentials does MCP.science need?

It reads JINA_API_KEY, JUPYTER_SERVER_TOKEN, MP_API_KEY, NEMAD_API_KEY, SSH_PASSWORD, SSH_PRIVATE_KEY_FILE and TXYZ_API_KEY from the environment. Give it a token scoped to the least it needs — an agent that can be talked into calling a tool can be talked into calling it with your credentials.

How does MCP.science run?

It speaks stdio and streamable-http, so it runs as a local process your client starts. It is published on PyPI as web-fetch.

How current is this page?

The grade is for one exact copy of the source (7168561a9c98), read on 2026-10-07. The repository is watched and re-audited when it changes.

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