mattergraph-connectors

Connectors to public materials databases for MatterGraph.

Each connector returns normalized Material records from mattergraph-core, so downstream filtering, graph export, and scoring work identically regardless of source.

Sources

Connector Status
Materials Project (mp-api) Supported — requires MP_API_KEY
JARVIS-DFT (jarvis-tools) Supported
NOMAD Public metadata reads, no API key needed. Metadata-only in v0.1 — does not fetch archives or derived scalar properties.
LeMat-Bulk Companion adapter (records, parquet, or Hugging Face datasets)
Local CSV Supported
OQMD Stub — preserves the API surface, returns no records

Heavy source SDKs are imported lazily, so importing the package stays cheap and a missing optional dependency produces a readable install hint rather than an ImportError traceback.

Install

pip install mattergraph-connectors

Example

from mattergraph_connectors import LeMatBulk

dataset = LeMatBulk.example("spc-tialn-24")

candidates = (
    dataset
    .filter_elements(include=["Ti", "Al", "N"])
    .filter_complexity(max_nsites=16, max_nelements=3)
    .create_slice("spc_tialn_candidates_v1", target="energy_above_hull")
)
print(dataset.metadata["snapshot_manifest"])
print(candidates.report())

License

Apache-2.0

Project links

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1 maintainer

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Avatar for cyrus_moazami from gravatar.com cyrus_moazami

Credits

Author: MatterGraph contributors

GitHub Statistics

Data verified by PyPI on Sep 10, 2026
The GitHub source repository was provided by the project maintainers and verified by PyPI at the time of upload. Stars, forks, and open issues/PRs are derived from that repository and have not been independently verified.

License expression

Apache-2.0
View SPDX License List

Requires

Python >=3.10

Provides Extra

all jarvis mp

Tags

jarvis lematerial materials-project materials-science nomad

Classifiers

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