Scope, limitations and roadmap: what the released package does and does not, what a dataset needs, what has been validated; the landing page, the ecosystem page and the assistant say Matter runs your data on your computer
Browse filesThis view is limited to 50 files because it contains too many changes. See raw diff
- meidnet/studio/ask_prism.js +5 -4
- meidnet/studio/landing.html +3 -3
- site/404.html +1 -1
- site/assets/vendor/index.html +1 -1
- site/benchmarks/carbon24.html +1 -1
- site/benchmarks/compatibility.html +1 -1
- site/benchmarks/index.html +1 -1
- site/benchmarks/mp20.html +1 -1
- site/benchmarks/perov5-guide.html +1 -1
- site/benchmarks/perov5-insights.html +1 -1
- site/benchmarks/perov5-reproduction.html +1 -1
- site/benchmarks/perov5.html +1 -1
- site/benchmarks/results/baseline-chance.html +1 -1
- site/benchmarks/results/baseline-composition-knn.html +1 -1
- site/benchmarks/results/baseline-random.html +1 -1
- site/benchmarks/results/baseline-screening.html +1 -1
- site/benchmarks/results/baseline-train-mean.html +1 -1
- site/benchmarks/results/meidnet-2k.html +1 -1
- site/benchmarks/results/meidnet-alignment-seed3.html +1 -1
- site/benchmarks/results/meidnet-alignment.html +1 -1
- site/benchmarks/results/meidnet-earlyfusion.html +1 -1
- site/benchmarks/results/meidnet-propertyaware.html +1 -1
- site/benchmarks/results/paper-candidates.html +1 -1
- site/benchmarks/results/paper-inverse-design.html +1 -1
- site/community/contribute.html +1 -1
- site/community/help.html +2 -2
- site/community/index.html +1 -1
- site/develop.html +2 -2
- site/ecosystem.html +3 -3
- site/examples/double-perovskite.html +1 -1
- site/examples/perov5.html +1 -1
- site/explore/capabilities.html +1 -1
- site/explore/databases.html +1 -1
- site/explore/datasets.html +1 -1
- site/index.html +5 -4
- site/learn/architectures.html +1 -1
- site/learn/index.html +4 -3
- site/learn/recipes.html +1 -1
- site/recipes/add-constraint.html +1 -1
- site/recipes/add-property.html +1 -1
- site/recipes/change-family.html +3 -3
- site/recipes/change-targets.html +1 -1
- site/recipes/elements.html +1 -1
- site/recipes/screen.html +1 -1
- site/reference/api.html +1 -1
- site/reference/cli.html +1 -1
- site/reference/config.html +1 -1
- site/reference/families.html +2 -2
- site/reference/rules.html +1 -1
- site/research/paper.html +1 -1
meidnet/studio/ask_prism.js
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text: "Each candidate lists every rule with its measured value, and the predicted properties next to your targets. " +
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"Predictions are the model's estimates; targets outside the range of the training data are extrapolations.",
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links: [["Interpreting a candidate", "/docs/understand/interpretability.html"], ["Reading the reports", "/docs/use/reports.html"],
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["How MEIDNet works", "/docs/understand/how-it-works.html"], ["Screen
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{id: "benchmark", title: "I cannot reproduce a benchmark",
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text: "Each benchmark page states its protocol and data split. When a number differs, include the command you ran " +
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"and the value you obtained in your question.",
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["Perov-5 example", "/docs/examples/perov5.html"], ["Contribute a result", "/docs/community/contribute.html"]]},
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{id: "score", title: "Can I benchmark my own model's structures?",
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text: "Yes: `meidnet score generated/ --reference data/perov5` reports validity, uniqueness, novelty, diversity and " +
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"distribution for a folder of CIF files from any model, with
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"metrics when you add targets.csv. The metric families are named as in LeMat-GenBench.",
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links: [["Benchmark compatibility", "/docs/benchmarks/compatibility.html"], ["MEIDNet Benchmarks", "/docs/benchmarks/index.html"],
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["Contribute a result", "/docs/community/contribute.html"]]},
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{id: "matter", title: "Where do I design with my own data?",
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text: "MEIDNet Matter is the companion application for that:
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"
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"stays the place to learn the method, benchmark models and develop with the package.",
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links: [["Open MEIDNet Matter", "https://babu09-meidnet-matter.hf.space/"], ["The ecosystem", "/docs/ecosystem.html"],
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["Bring your own dataset (package)", "/docs/use/your-data.html"]]},
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text: "Each candidate lists every rule with its measured value, and the predicted properties next to your targets. " +
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"Predictions are the model's estimates; targets outside the range of the training data are extrapolations.",
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links: [["Interpreting a candidate", "/docs/understand/interpretability.html"], ["Reading the reports", "/docs/use/reports.html"],
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["How MEIDNet works", "/docs/understand/how-it-works.html"], ["Screen with MACE", "/docs/recipes/screen.html"]]},
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{id: "benchmark", title: "I cannot reproduce a benchmark",
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text: "Each benchmark page states its protocol and data split. When a number differs, include the command you ran " +
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"and the value you obtained in your question.",
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["Perov-5 example", "/docs/examples/perov5.html"], ["Contribute a result", "/docs/community/contribute.html"]]},
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{id: "score", title: "Can I benchmark my own model's structures?",
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text: "Yes: `meidnet score generated/ --reference data/perov5` reports validity, uniqueness, novelty, diversity and " +
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+
"distribution for a folder of CIF files from any model, with a MACE formation-energy filter and the conditional " +
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"metrics when you add targets.csv. The metric families are named as in LeMat-GenBench.",
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links: [["Benchmark compatibility", "/docs/benchmarks/compatibility.html"], ["MEIDNet Benchmarks", "/docs/benchmarks/index.html"],
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["Contribute a result", "/docs/community/contribute.html"]]},
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{id: "matter", title: "Where do I design with my own data?",
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text: "MEIDNet Matter is the companion application for that: set a design goal, read whether the data and model " +
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"support it, search for candidates with evidence next to each one, and export them; your own data runs on " +
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"your computer with its package. Prism " +
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"stays the place to learn the method, benchmark models and develop with the package.",
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links: [["Open MEIDNet Matter", "https://babu09-meidnet-matter.hf.space/"], ["The ecosystem", "/docs/ecosystem.html"],
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["Bring your own dataset (package)", "/docs/use/your-data.html"]]},
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meidnet/studio/landing.html
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<div style="--k:var(--p2)"><b>Fuse</b><span class="eq">z = ½ (z<sub>s</sub> + z<sub>p</sub>) <span class="up">∈ ℝ<sup>128</sup></span></span></div>
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<div style="--k:var(--c-targets)"><b>Design</b><span class="eq">z<sup>*</sup> = argmin<sub>z</sub> ‖g(z) − y<sup>*</sup>‖²</span></div>
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<div style="--k:var(--c-candidates)"><b>Decode</b><span class="eq">x<sup>*</sup> = D(z<sup>*</sup>)</span></div>
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</section>
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<h2 class="sec">Contents</h2>
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<p class="sec-sub">Learn the method, benchmark any model against it, develop with the package and the Studio, and design with your own data in MEIDNet Matter.</p>
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<section class="layers">
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<div class="card" style="--accent:var(--c-data)"><h2><small>Learn</small>Multimodal learning for materials</h2><p>Modalities and the five challenges of multimodal learning, contrastive learning with a playground, the Architecture Atlas with an advisor, how MEIDNet works and where it stops.</p>
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<p><a class="more" href="/docs/learn/index.html">Learn multimodality →</a> <a class="more" href="/docs/learn/architectures.html">Architecture Atlas →</a></p></div>
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<div class="card" style="--accent:var(--c-targets)"><h2><small>Benchmark</small>Leaderboards and metrics</h2><p>Fixed protocols per dataset, metric families named as in LeMat-GenBench plus a conditional extension, datasets and databases, and <code>meidnet score</code> for any model's generated structures. Results are contributed through GitHub and re-run before they are marked as computed here.</p>
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<p><a class="more" href="/docs/benchmarks/index.html">Benchmarks →</a> <a class="more" href="/docs/benchmarks/compatibility.html">Score your structures →</a></p></div>
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<div class="card" style="--accent:var(--c-model)"><h2><small>Develop</small>The package and the Studio</h2><p>Install <code>meidnet</code>, train on a table of structures and properties, set targets and rules in one YAML file, run the search and inspect every candidate in 3D, from the command line, Python or the Studio in the browser.</p>
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<p><a class="more" href="/studio/">Open the Studio →</a> <a class="more" href="/docs/develop.html">Develop with MEIDNet →</a></p></div>
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<div class="card" style="--accent:var(--c-candidates)"><h2><small>Matter ↗</small>Design with your data</h2><p>MEIDNet Matter is the companion application for researchers:
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<p><a class="more" href="https://babu09-meidnet-matter.hf.space/">Open MEIDNet Matter ↗</a> <a class="more" href="/docs/ecosystem.html">The ecosystem →</a></p></div>
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</section>
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<div style="--k:var(--p2)"><b>Fuse</b><span class="eq">z = ½ (z<sub>s</sub> + z<sub>p</sub>) <span class="up">∈ ℝ<sup>128</sup></span></span></div>
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<div style="--k:var(--c-targets)"><b>Design</b><span class="eq">z<sup>*</sup> = argmin<sub>z</sub> ‖g(z) − y<sup>*</sup>‖²</span></div>
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<div style="--k:var(--c-candidates)"><b>Decode</b><span class="eq">x<sup>*</sup> = D(z<sup>*</sup>)</span></div>
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<div style="--k:var(--c-search)"><b>Screen</b><span class="eq">ΔH<sub>f</sub>(x<sup>*</sup>) ≤ 0.1 eV/atom</span></div>
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</section>
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<section class="tour3d" id="tour3d" aria-labelledby="t3-title">
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<h2 class="sec">Contents</h2>
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<p class="sec-sub">Learn the method, benchmark any model against it, develop with the package and the Studio, and design with your own data in MEIDNet Matter.</p>
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<section class="layers">
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| 176 |
+
<div class="card" style="--accent:var(--c-data)"><h2><small>Learn</small>Multimodal learning for materials</h2><p>Modalities and the five challenges of multimodal learning, contrastive learning with a playground, the Architecture Atlas with an advisor, how MEIDNet works and <a href="/docs/understand/limits.html">where it stops</a>.</p>
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<p><a class="more" href="/docs/learn/index.html">Learn multimodality →</a> <a class="more" href="/docs/learn/architectures.html">Architecture Atlas →</a></p></div>
|
| 178 |
<div class="card" style="--accent:var(--c-targets)"><h2><small>Benchmark</small>Leaderboards and metrics</h2><p>Fixed protocols per dataset, metric families named as in LeMat-GenBench plus a conditional extension, datasets and databases, and <code>meidnet score</code> for any model's generated structures. Results are contributed through GitHub and re-run before they are marked as computed here.</p>
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<p><a class="more" href="/docs/benchmarks/index.html">Benchmarks →</a> <a class="more" href="/docs/benchmarks/compatibility.html">Score your structures →</a></p></div>
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| 180 |
<div class="card" style="--accent:var(--c-model)"><h2><small>Develop</small>The package and the Studio</h2><p>Install <code>meidnet</code>, train on a table of structures and properties, set targets and rules in one YAML file, run the search and inspect every candidate in 3D, from the command line, Python or the Studio in the browser.</p>
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<p><a class="more" href="/studio/">Open the Studio →</a> <a class="more" href="/docs/develop.html">Develop with MEIDNet →</a></p></div>
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+
<div class="card" style="--accent:var(--c-candidates)"><h2><small>Matter ↗</small>Design with your data</h2><p>MEIDNet Matter is the companion application for researchers: set a design goal, read whether the data and model support it, search for candidates with evidence next to each one, and export them with a validation ladder; your own data runs on your computer with its package.</p>
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| 183 |
<p><a class="more" href="https://babu09-meidnet-matter.hf.space/">Open MEIDNet Matter ↗</a> <a class="more" href="/docs/ecosystem.html">The ecosystem →</a></p></div>
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</section>
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They are the model's estimates. Targets outside the range of the training data are extrapolations; confirm
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candidates with calculations or experiments: <a href="../understand/interpretability.html">Interpreting a candidate</a> and
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<h2 id="what-meidnet-works-with">What MEIDNet works with<a class="headerlink" href="#what-meidnet-works-with" title="Permanent link">¶</a></h2>
|
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-
<p><strong>Data.</strong> <a href="https://next-gen.materialsproject.org/">Materials Project</a>, <a href="https://nomad-lab.eu/">NOMAD</a>, the datasets on the <a href="explore/datasets.html">datasets page</a> and the <a href="explore/databases.html">31 databases by application</a>, and your own tables of structures and properties. Matter reads
|
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<p><strong>Methods.</strong> MEIDNet (this package) and any other model: the <a href="benchmarks/index.html">benchmarks</a> score the predictions or candidate structures of any method with the same code, and <code>meidnet score</code> reports the generation quality of any folder of CIF files (<a href="benchmarks/compatibility.html">benchmark compatibility</a>). Matter runs MEIDNet as its first backend behind one backend interface.</p>
|
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<p><strong>Benchmarks.</strong> The MEIDNet protocols per dataset, and metric families named as in <a href="https://github.com/LeMaterial/lemat-genbench">LeMat-GenBench</a> so that results can be read side by side, with MEIDNet's conditional extension for property-conditioned generation.</p>
|
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<p><strong>Synthesis knowledge.</strong> Not here: <a href="https://lematerial.org/">LeMat-Synth</a> and the <a href="https://next-gen.materialsproject.org/synthesis">Materials Project Synthesis Explorer</a> hold the recipes; Matter will link a candidate to them rather than extract its own.</p>
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|
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<td>Learn a method, reproduce it, compare it, benchmark it, implement it.</td>
|
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<td>Answer "what material should I investigate next?" for a design goal: on the site with its demo data, on your computer with your own.</td>
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|
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|
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|
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<h2 id="what-meidnet-works-with">What MEIDNet works with<a class="headerlink" href="#what-meidnet-works-with" title="Permanent link">¶</a></h2>
|
| 2177 |
+
<p><strong>Data.</strong> <a href="https://next-gen.materialsproject.org/">Materials Project</a>, <a href="https://nomad-lab.eu/">NOMAD</a>, the datasets on the <a href="explore/datasets.html">datasets page</a> and the <a href="explore/databases.html">31 databases by application</a>, and your own tables of structures and properties. Matter's package reads your table with CIF files on your computer; a browser upload and imports from Materials Project and NOMAD are planned.</p>
|
| 2178 |
<p><strong>Methods.</strong> MEIDNet (this package) and any other model: the <a href="benchmarks/index.html">benchmarks</a> score the predictions or candidate structures of any method with the same code, and <code>meidnet score</code> reports the generation quality of any folder of CIF files (<a href="benchmarks/compatibility.html">benchmark compatibility</a>). Matter runs MEIDNet as its first backend behind one backend interface.</p>
|
| 2179 |
<p><strong>Benchmarks.</strong> The MEIDNet protocols per dataset, and metric families named as in <a href="https://github.com/LeMaterial/lemat-genbench">LeMat-GenBench</a> so that results can be read side by side, with MEIDNet's conditional extension for property-conditioned generation.</p>
|
| 2180 |
<p><strong>Synthesis knowledge.</strong> Not here: <a href="https://lematerial.org/">LeMat-Synth</a> and the <a href="https://next-gen.materialsproject.org/synthesis">Materials Project Synthesis Explorer</a> hold the recipes; Matter will link a candidate to them rather than extract its own.</p>
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|
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<h2 id="scope">Scope<a class="headerlink" href="#scope" title="Permanent link">¶</a></h2>
|
| 2281 |
<div class="admonition meidnet">
|
| 2282 |
<p class="admonition-title">What MEIDNet generates, and what it does not</p>
|
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-
<p>
|
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-
chosen (ABX₃ perovskites, A₂BB′X₆ double perovskites, and anything you describe
|
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-
not invent new atomic arrangements.
|
|
|
|
| 2286 |
<p>Predicted properties are the model's estimates, and the reports say when a prediction is an extrapolation.
|
| 2287 |
Confirm candidates with DFT or experiment; <code>meidnet screen</code> is a first filter.</p>
|
| 2288 |
</div>
|
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| 2280 |
<h2 id="scope">Scope<a class="headerlink" href="#scope" title="Permanent link">¶</a></h2>
|
| 2281 |
<div class="admonition meidnet">
|
| 2282 |
<p class="admonition-title">What MEIDNet generates, and what it does not</p>
|
| 2283 |
+
<p>In this package (meidnet 2.3.1), generation works for <strong>prototype families</strong>: a fixed arrangement of sites whose
|
| 2284 |
+
occupants and cell size are chosen (cubic ABX₃ perovskites, A₂BB′X₆ double perovskites, and anything you describe
|
| 2285 |
+
the same way); it does not invent new atomic arrangements. The development engine that MEIDNet Matter runs adds a
|
| 2286 |
+
family-free generator. <a href="understand/limits.html">Scope, limitations and roadmap</a>.</p>
|
| 2287 |
<p>Predicted properties are the model's estimates, and the reports say when a prediction is an extrapolation.
|
| 2288 |
Confirm candidates with DFT or experiment; <code>meidnet screen</code> is a first filter.</p>
|
| 2289 |
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|
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|
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|
| 2530 |
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|
| 2531 |
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|
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<p>
|
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-
|
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|
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<p><em>Further reading:</em> the MEIDNet paper (Babu <em>et al.</em> 2026) · Babu, Gouvêa and Rignanese 2026 (generative models,
|
| 2536 |
multimodal learning and closed-loop workflows in inverse materials design) · Moro, Loh <em>et al.</em> 2025 (multimodal
|
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<p>The full objective and every step are in <a href="../understand/how-it-works.html">How MEIDNet works</a>.</p>
|
| 2530 |
<div class="admonition meidnet">
|
| 2531 |
<p class="admonition-title">Two limits that matter</p>
|
| 2532 |
+
<p>The released package (2.3.1) does not invent new atomic arrangements: candidates are compositions on a known
|
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+
prototype (the engine MEIDNet Matter runs adds a family-free generator). Its predicted properties are estimates to
|
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+
confirm with DFT or experiment (<a href="../understand/limits.html">scope, limitations and roadmap</a>).</p>
|
| 2535 |
</div>
|
| 2536 |
<p><em>Further reading:</em> the MEIDNet paper (Babu <em>et al.</em> 2026) · Babu, Gouvêa and Rignanese 2026 (generative models,
|
| 2537 |
multimodal learning and closed-loop workflows in inverse materials design) · Moro, Loh <em>et al.</em> 2025 (multimodal
|
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<p>Errors name the problem: unknown element symbols, a prototype group without a definition, an override that
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matches no rule, a group left empty after your filters.</p>
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<h2 id="worked-example">Worked example<a class="headerlink" href="#worked-example" title="Permanent link">¶</a></h2>
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<p>The <a href="../examples/double-perovskite.html">double perovskite</a> page walks through a 10-site
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Scope, limitations and roadmap
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<p>Errors name the problem: unknown element symbols, a prototype group without a definition, an override that
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matches no rule, a group left empty after your filters.</p>
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<h2 id="worked-example">Worked example<a class="headerlink" href="#worked-example" title="Permanent link">¶</a></h2>
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<p>The <a href="../examples/double-perovskite.html">double perovskite</a> page walks through a 10-site family in the rhombohedral primitive
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cell of the cubic Fm-3m lattice, written this way.</p>
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<tr>
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<td><code>prototype.lattice</code></td>
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<td>yes</td>
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<td><code>cubic</code>, <code>fcc_primitive</code>, <code>bcc_primitive</code>, or explicit <code>a, b, c, alpha, beta, gamma</code></td>
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</tr>
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<tr>
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<td><code>prototype.reference_a</code></td>
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<tr>
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<td><code>prototype.lattice</code></td>
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<td>yes</td>
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<td><code>cubic</code>, <code>fcc_primitive</code>, <code>bcc_primitive</code>, or explicit <code>a, b, c, alpha, beta, gamma</code> (a general cell is scaled from one edge with its shape fixed; no non-cubic family ships or has been tested)</td>
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</tr>
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<tr>
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<td><code>prototype.reference_a</code></td>
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