meidnet 2.2.0__tar.gz

meidnet-2.2.0/LICENSE

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+MIT License
+
+Copyright (c) 2026 Anand Babu
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

meidnet-2.2.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: meidnet
+Version: 2.2.0
+Summary: MEIDNet: multimodal structure-property latent space and constrained inverse design of crystalline materials
+Author: Anand Babu
+License-Expression: MIT
+Project-URL: Homepage, https://babu09-meidnet.hf.space/
+Project-URL: Documentation, https://babu09-meidnet.hf.space/docs/
+Project-URL: Source, https://github.com/ABnano/MEIDNet
+Project-URL: Issues, https://github.com/ABnano/MEIDNet/issues
+Project-URL: Paper, https://doi.org/10.1038/s41524-026-02153-3
+Project-URL: Models, https://huggingface.co/Babu09/MEIDNet
+Keywords: materials,inverse design,generative model,perovskite,contrastive learning
+Classifier: Development Status :: 4 - Beta
+Classifier: Intended Audience :: Science/Research
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
+Requires-Python: >=3.10
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: torch>=2.1
+Requires-Dist: numpy>=1.24
+Requires-Dist: pandas>=2.0
+Requires-Dist: pymatgen>=2024.1.1
+Requires-Dist: scikit-learn>=1.3
+Requires-Dist: matplotlib>=3.7
+Requires-Dist: pyyaml>=6.0
+Requires-Dist: pydantic>=2.5
+Requires-Dist: openpyxl>=3.1
+Provides-Extra: parquet
+Requires-Dist: pyarrow>=14; extra == "parquet"
+Provides-Extra: stability
+Requires-Dist: ase>=3.22; extra == "stability"
+Requires-Dist: mace-torch>=0.3.6; extra == "stability"
+Provides-Extra: app
+Requires-Dist: gradio>=4.0; extra == "app"
+Provides-Extra: docs
+Requires-Dist: mkdocs-material>=9.5; extra == "docs"
+Requires-Dist: mkdocstrings[python]>=0.24; extra == "docs"
+Provides-Extra: dev
+Requires-Dist: pytest>=7.4; extra == "dev"
+Dynamic: license-file
+
+<p align="center">
+  <img src="https://raw.githubusercontent.com/ABnano/MEIDNet/main/docs/assets/meidnet_prism_logo.png" alt="MEIDNet Prism — Multimodal materials representation and inverse design" width="640"/>
+</p>
+
+<p align="center"><em>Inverse design of crystalline materials from target properties, with your own data and rules.</em><br/>
+<b>MEIDNet Prism</b>: learn, build and benchmark multimodal AI for materials discovery, with MEIDNet as the reference implementation.<br/>
+<a href="https://babu09-meidnet.hf.space/">home</a> · <a href="https://babu09-meidnet.hf.space/docs/learn/index.html">learn</a> · <a href="https://babu09-meidnet.hf.space/docs/learn/architectures.html">architectures</a> · <a href="https://babu09-meidnet.hf.space/studio/">build (Studio)</a> · <a href="https://babu09-meidnet.hf.space/docs/explore/datasets.html">datasets</a> · <a href="https://babu09-meidnet.hf.space/docs/benchmarks/index.html">benchmarks</a> · <a href="https://babu09-meidnet.hf.space/docs/community/contribute.html">community</a></p>
+
+<p align="center">
+  <a href="https://doi.org/10.1038/s41524-026-02153-3"><img alt="Paper" src="https://img.shields.io/badge/npj%20Comput.%20Mater.-2026-1c5cab"></a>
+  <a href="https://babu09-meidnet.hf.space/"><img alt="MEIDNet Prism" src="https://img.shields.io/badge/MEIDNet%20Prism-live-4f46e5"></a>
+  <a href="https://huggingface.co/Babu09/MEIDNet"><img alt="Model on Hugging Face" src="https://img.shields.io/badge/%F0%9F%A4%97%20model-Babu09%2FMEIDNet-ffcc4d"></a>
+  <a href="https://github.com/ABnano/MEIDNet/actions"><img alt="CI" src="https://github.com/ABnano/MEIDNet/actions/workflows/ci.yml/badge.svg"></a>
+  <a href="https://github.com/ABnano/MEIDNet/blob/main/LICENSE"><img alt="MIT" src="https://img.shields.io/badge/licence-MIT-0a7d0a"></a>
+</p>
+
+<p align="center">
+  <a href="https://babu09-meidnet.hf.space/docs/"><b>Documentation</b></a> ·
+  <a href="https://babu09-meidnet.hf.space/studio/"><b>Try it in your browser</b></a> ·
+  <a href="https://www.nature.com/articles/s41524-026-02153-3">Paper</a> ·
+  <a href="https://github.com/ABnano/MEIDNet/releases/tag/v1.0.0-paper">v1.0 code as published</a>
+</p>
+
+<p align="center">
+  <a href="https://babu09-meidnet.hf.space/"><img src="https://raw.githubusercontent.com/ABnano/MEIDNet/main/docs/assets/meidnet_tour_poster.png" alt="MEIDNet: from concept to demonstration" width="720"/></a><br/>
+  <sub><a href="https://babu09-meidnet.hf.space/"><b>▶ MEIDNet: from concept to demonstration</b></a>, the live 3D tour on the home page (<a href="https://github.com/ABnano/MEIDNet/releases/download/v2.1.0/meidnet_tour.webm">video version</a>)</sub>
+</p>
+
+---
+
+MEIDNet learns one latent space shared by **crystal structures** and their **properties**
+(contrastive alignment of an equivariant graph encoder and a property encoder), then
+searches that space for new materials that hit property targets while obeying the
+chemical and structural rules of a **material family**.
+
+MEIDNet 2.0 turns the published perovskite code into a framework:
+
+| You want to… | You do… |
+|---|---|
+| try it | `meidnet demo` or the [browser demo](https://babu09-meidnet.hf.space/studio/) |
+| use **your** structures + properties | put them in a table, run `meidnet init / check / train / generate` |
+| change targets, elements, rules | edit `meidnet.yaml` — or move sliders in **MEIDNet Studio** and export it |
+| a different material family | copy a family `.yaml` (prototype + site groups + rules) |
+| your own rule | a 5-line Python function registered as a constraint |
+| understand every decision | each step writes a plain-language HTML report (data check, training, generation) |
+
+The published cubic-ABX₃ perovskite model (band gap + formation enthalpy, Perov-5) is
+**example application #1**; it runs unchanged and bit-identically (tests prove it).
+
+## Install
+
+```bash
+pip install meidnet            # core (PyTorch CPU wheels work; CUDA optional)
+pip install "meidnet[stability]"   # + MACE stability screening
+```
+
+From source: `git clone https://github.com/ABnano/MEIDNet && cd MEIDNet && pip install -e ".[dev]"`.
+
+## Try it (2 minutes, CPU is fine)
+
+```bash
+meidnet demo                      # halide perovskites, band gap 2.0 eV → CIFs + report
+meidnet studio                    # interactive workbench with the published model
+```
+
+## Use your own data (the main path)
+
+Your data is a table with one row per material plus the structures as CIF text (a `cif`
+column) or files (`structures/<id>.cif`):
+
+```
+material_id   cif                         band_gap   dielectric
+mat_001       data_mat_001 ...            1.42       18.3
+mat_002       data_mat_001 ...            2.16       11.7
+```
+
+```bash
+meidnet init --table materials.csv --properties band_gap dielectric --family perovskite_abx3 --variant oxide
+meidnet check meidnet.yaml      # → check_report.html: what is usable, what was skipped and why
+meidnet train meidnet.yaml      # → model.pt + training_report.html: how accurate, did modalities align
+meidnet generate meidnet.yaml   # → CIFs + generation_report.html: every candidate and why it passed
+```
+
+Everything you can change is in `meidnet.yaml`, with a one-line explanation per setting
+([reference](https://babu09-meidnet.hf.space/docs/reference/config.html)). No Python needed.
+
+## MEIDNet Studio — see the effect of every change
+
+```bash
+meidnet studio meidnet.yaml
+```
+
+A local web page shows the workflow as a strip of colour-coded blocks **Data → Model →
+Family → Rules → Targets → Search → Candidates**. Move a rule's limit or a target and watch
+the change flow through every later block, with a short explanation: how many compositions
+still pass, which are predicted closest, which of your earlier candidates would now be
+rejected. Beginner mode shows the input, logic and output of each block, and *Behind the
+scenes* shows the YAML and Python that do the same thing.
+
+- **Your data in the browser:** upload a table (CSV / Excel / JSON) with CIF structures, map
+  the columns, check it and train a model — every block then uses your properties.
+- **Edit as text:** the configuration as YAML; errors name the exact setting.
+- **Explore in 3D:** the design space, your data or the candidates as a property map linked
+  to a crystal viewer ([chemiscope](https://chemiscope.org)).
+- "Run search" runs the paper's latent optimisation live; every candidate comes with its
+  checklist and a rotatable cell. Export `meidnet.yaml` to repeat the run from the command line.
+
+No installation needed to try it: the [hosted Studio](https://huggingface.co/spaces/Babu09/MEIDNet)
+runs on Hugging Face ([direct link](https://babu09-meidnet.hf.space/studio/)).
+
+## What is in the box
+
+```
+meidnet/
+  config.py       the meidnet.yaml schema (pydantic) — single source of truth for CLI, docs, Studio
+  data.py         tables + CIFs → prototype-aligned feature vectors, with a skip report
+  model.py        SE(3)-equivariant crystal autoencoder + property autoencoder, shared latent
+  train.py        the five-term objective of the paper, validation metrics in physical units
+  family.py       material families from YAML: prototype, site groups, charges, lattice rule, variants
+  constraints.py  hard rules (charge balance, tolerance factor, …) — each returns value, window, sentence
+  terms.py        soft search terms and logit transforms used during the latent optimisation
+  generate.py     the inverse-design loop (latent search → decode → rules → rank → save), with a funnel log
+  designspace.py  every composition a family can make, with rule descriptors and model predictions
+  report.py       plain-language HTML reports; svg.py: dependency-free charts
+  studio/         the interactive workbench (stdlib HTTP server + one HTML page)
+  families/       perovskite_abx3.yaml, double_perovskite_a2bbx6.yaml
+tests/            incl. byte-level regression against the published v1 code (tests/legacy_v1/)
+examples/         Perov-5 reproduction, custom-rule plugin, the paper's generated CIFs
+docs/             the website (MkDocs)   notebooks/  Colab tutorials   app/  Hugging Face demo
+```
+
+## Scope
+
+* Generation works for **prototype families**: a fixed arrangement of sites whose
+  occupants and cell size are chosen (ABX₃, A₂BB′X₆, and anything you describe the same
+  way, up to `max_sites` atoms). It does **not** invent new atomic arrangements.
+* Properties: any number of scalar columns. Spectra/images as modalities are on the
+  [roadmap](https://babu09-meidnet.hf.space/docs/understand/limits.html), not in this release.
+* Predicted properties are **model estimates**. Confirm candidates with DFT or experiment;
+  `meidnet screen` (MACE) is a first filter.
+
+## Reproducing the paper
+
+```bash
+meidnet download-data                       # Perov-5 (CDVAE split) → data/perov5/
+meidnet init --template perov5 -o examples/perov5/meidnet.yaml
+meidnet train examples/perov5/meidnet.yaml  # ~1 h on a laptop GPU for 200 epochs
+meidnet generate examples/perov5/meidnet.yaml --model checkpoints/dual_autoencoder_clip_earlyfusion_propertyaware_2k.pth
+```
+
+`pytest -m slow` re-runs the frozen v1 generation code (`tests/legacy_v1/`) and checks that
+MEIDNet 2 produces the same CIFs, predictions and file names.
+
+## Citation
+
+```bibtex
+@article{meidnet2026,
+  title   = {MEIDNet: Multimodal generative AI framework for inverse materials design},
+  author  = {Anand Babu and Rog{\'e}rio Almeida Gouv{\^e}a and Pierre Vandergheynst and Gian-Marco Rignanese},
+  journal = {npj Computational Materials},
+  year    = {2026},
+  doi     = {10.1038/s41524-026-02153-3}
+}
+```
+
+MIT licence. Perov-5 data: Xie et al., CDVAE (ICLR 2022); Castelli et al. (2012).
+
+## Further reading
+
+- A. Babu, R. Almeida Gouvêa, G.-M. Rignanese, *Toward automated discovery with generative models multimodal
+  learning and closed loop workflows in inverse materials design*, Cell Reports Physical Science **7**, 103561
+  (2026). [doi:10.1016/j.xcrp.2026.103561](https://doi.org/10.1016/j.xcrp.2026.103561)
+- A. Babu, N. M. A. Krishnan, *Multimodal and cross-modal learning techniques*, APL Machine Learning **4**, 030901
+  (2026). [doi:10.1063/5.0346744](https://doi.org/10.1063/5.0346744)

meidnet-2.2.0/README.md

@@ -0,0 +1,174 @@
+<p align="center">
+  <img src="https://raw.githubusercontent.com/ABnano/MEIDNet/main/docs/assets/meidnet_prism_logo.png" alt="MEIDNet Prism — Multimodal materials representation and inverse design" width="640"/>
+</p>
+
+<p align="center"><em>Inverse design of crystalline materials from target properties, with your own data and rules.</em><br/>
+<b>MEIDNet Prism</b>: learn, build and benchmark multimodal AI for materials discovery, with MEIDNet as the reference implementation.<br/>
+<a href="https://babu09-meidnet.hf.space/">home</a> · <a href="https://babu09-meidnet.hf.space/docs/learn/index.html">learn</a> · <a href="https://babu09-meidnet.hf.space/docs/learn/architectures.html">architectures</a> · <a href="https://babu09-meidnet.hf.space/studio/">build (Studio)</a> · <a href="https://babu09-meidnet.hf.space/docs/explore/datasets.html">datasets</a> · <a href="https://babu09-meidnet.hf.space/docs/benchmarks/index.html">benchmarks</a> · <a href="https://babu09-meidnet.hf.space/docs/community/contribute.html">community</a></p>
+
+<p align="center">
+  <a href="https://doi.org/10.1038/s41524-026-02153-3"><img alt="Paper" src="https://img.shields.io/badge/npj%20Comput.%20Mater.-2026-1c5cab"></a>
+  <a href="https://babu09-meidnet.hf.space/"><img alt="MEIDNet Prism" src="https://img.shields.io/badge/MEIDNet%20Prism-live-4f46e5"></a>
+  <a href="https://huggingface.co/Babu09/MEIDNet"><img alt="Model on Hugging Face" src="https://img.shields.io/badge/%F0%9F%A4%97%20model-Babu09%2FMEIDNet-ffcc4d"></a>
+  <a href="https://github.com/ABnano/MEIDNet/actions"><img alt="CI" src="https://github.com/ABnano/MEIDNet/actions/workflows/ci.yml/badge.svg"></a>
+  <a href="https://github.com/ABnano/MEIDNet/blob/main/LICENSE"><img alt="MIT" src="https://img.shields.io/badge/licence-MIT-0a7d0a"></a>
+</p>
+
+<p align="center">
+  <a href="https://babu09-meidnet.hf.space/docs/"><b>Documentation</b></a> ·
+  <a href="https://babu09-meidnet.hf.space/studio/"><b>Try it in your browser</b></a> ·
+  <a href="https://www.nature.com/articles/s41524-026-02153-3">Paper</a> ·
+  <a href="https://github.com/ABnano/MEIDNet/releases/tag/v1.0.0-paper">v1.0 code as published</a>
+</p>
+
+<p align="center">
+  <a href="https://babu09-meidnet.hf.space/"><img src="https://raw.githubusercontent.com/ABnano/MEIDNet/main/docs/assets/meidnet_tour_poster.png" alt="MEIDNet: from concept to demonstration" width="720"/></a><br/>
+  <sub><a href="https://babu09-meidnet.hf.space/"><b>▶ MEIDNet: from concept to demonstration</b></a>, the live 3D tour on the home page (<a href="https://github.com/ABnano/MEIDNet/releases/download/v2.1.0/meidnet_tour.webm">video version</a>)</sub>
+</p>
+
+---
+
+MEIDNet learns one latent space shared by **crystal structures** and their **properties**
+(contrastive alignment of an equivariant graph encoder and a property encoder), then
+searches that space for new materials that hit property targets while obeying the
+chemical and structural rules of a **material family**.
+
+MEIDNet 2.0 turns the published perovskite code into a framework:
+
+| You want to… | You do… |
+|---|---|
+| try it | `meidnet demo` or the [browser demo](https://babu09-meidnet.hf.space/studio/) |
+| use **your** structures + properties | put them in a table, run `meidnet init / check / train / generate` |
+| change targets, elements, rules | edit `meidnet.yaml` — or move sliders in **MEIDNet Studio** and export it |
+| a different material family | copy a family `.yaml` (prototype + site groups + rules) |
+| your own rule | a 5-line Python function registered as a constraint |
+| understand every decision | each step writes a plain-language HTML report (data check, training, generation) |
+
+The published cubic-ABX₃ perovskite model (band gap + formation enthalpy, Perov-5) is
+**example application #1**; it runs unchanged and bit-identically (tests prove it).
+
+## Install
+
+```bash
+pip install meidnet            # core (PyTorch CPU wheels work; CUDA optional)
+pip install "meidnet[stability]"   # + MACE stability screening
+```
+
+From source: `git clone https://github.com/ABnano/MEIDNet && cd MEIDNet && pip install -e ".[dev]"`.
+
+## Try it (2 minutes, CPU is fine)
+
+```bash
+meidnet demo                      # halide perovskites, band gap 2.0 eV → CIFs + report
+meidnet studio                    # interactive workbench with the published model
+```
+
+## Use your own data (the main path)
+
+Your data is a table with one row per material plus the structures as CIF text (a `cif`
+column) or files (`structures/<id>.cif`):
+
+```
+material_id   cif                         band_gap   dielectric
+mat_001       data_mat_001 ...            1.42       18.3
+mat_002       data_mat_001 ...            2.16       11.7
+```
+
+```bash
+meidnet init --table materials.csv --properties band_gap dielectric --family perovskite_abx3 --variant oxide
+meidnet check meidnet.yaml      # → check_report.html: what is usable, what was skipped and why
+meidnet train meidnet.yaml      # → model.pt + training_report.html: how accurate, did modalities align
+meidnet generate meidnet.yaml   # → CIFs + generation_report.html: every candidate and why it passed
+```
+
+Everything you can change is in `meidnet.yaml`, with a one-line explanation per setting
+([reference](https://babu09-meidnet.hf.space/docs/reference/config.html)). No Python needed.
+
+## MEIDNet Studio — see the effect of every change
+
+```bash
+meidnet studio meidnet.yaml
+```
+
+A local web page shows the workflow as a strip of colour-coded blocks **Data → Model →
+Family → Rules → Targets → Search → Candidates**. Move a rule's limit or a target and watch
+the change flow through every later block, with a short explanation: how many compositions
+still pass, which are predicted closest, which of your earlier candidates would now be
+rejected. Beginner mode shows the input, logic and output of each block, and *Behind the
+scenes* shows the YAML and Python that do the same thing.
+
+- **Your data in the browser:** upload a table (CSV / Excel / JSON) with CIF structures, map
+  the columns, check it and train a model — every block then uses your properties.
+- **Edit as text:** the configuration as YAML; errors name the exact setting.
+- **Explore in 3D:** the design space, your data or the candidates as a property map linked
+  to a crystal viewer ([chemiscope](https://chemiscope.org)).
+- "Run search" runs the paper's latent optimisation live; every candidate comes with its
+  checklist and a rotatable cell. Export `meidnet.yaml` to repeat the run from the command line.
+
+No installation needed to try it: the [hosted Studio](https://huggingface.co/spaces/Babu09/MEIDNet)
+runs on Hugging Face ([direct link](https://babu09-meidnet.hf.space/studio/)).
+
+## What is in the box
+
+```
+meidnet/
+  config.py       the meidnet.yaml schema (pydantic) — single source of truth for CLI, docs, Studio
+  data.py         tables + CIFs → prototype-aligned feature vectors, with a skip report
+  model.py        SE(3)-equivariant crystal autoencoder + property autoencoder, shared latent
+  train.py        the five-term objective of the paper, validation metrics in physical units
+  family.py       material families from YAML: prototype, site groups, charges, lattice rule, variants
+  constraints.py  hard rules (charge balance, tolerance factor, …) — each returns value, window, sentence
+  terms.py        soft search terms and logit transforms used during the latent optimisation
+  generate.py     the inverse-design loop (latent search → decode → rules → rank → save), with a funnel log
+  designspace.py  every composition a family can make, with rule descriptors and model predictions
+  report.py       plain-language HTML reports; svg.py: dependency-free charts
+  studio/         the interactive workbench (stdlib HTTP server + one HTML page)
+  families/       perovskite_abx3.yaml, double_perovskite_a2bbx6.yaml
+tests/            incl. byte-level regression against the published v1 code (tests/legacy_v1/)
+examples/         Perov-5 reproduction, custom-rule plugin, the paper's generated CIFs
+docs/             the website (MkDocs)   notebooks/  Colab tutorials   app/  Hugging Face demo
+```
+
+## Scope
+
+* Generation works for **prototype families**: a fixed arrangement of sites whose
+  occupants and cell size are chosen (ABX₃, A₂BB′X₆, and anything you describe the same
+  way, up to `max_sites` atoms). It does **not** invent new atomic arrangements.
+* Properties: any number of scalar columns. Spectra/images as modalities are on the
+  [roadmap](https://babu09-meidnet.hf.space/docs/understand/limits.html), not in this release.
+* Predicted properties are **model estimates**. Confirm candidates with DFT or experiment;
+  `meidnet screen` (MACE) is a first filter.
+
+## Reproducing the paper
+
+```bash
+meidnet download-data                       # Perov-5 (CDVAE split) → data/perov5/
+meidnet init --template perov5 -o examples/perov5/meidnet.yaml
+meidnet train examples/perov5/meidnet.yaml  # ~1 h on a laptop GPU for 200 epochs
+meidnet generate examples/perov5/meidnet.yaml --model checkpoints/dual_autoencoder_clip_earlyfusion_propertyaware_2k.pth
+```
+
+`pytest -m slow` re-runs the frozen v1 generation code (`tests/legacy_v1/`) and checks that
+MEIDNet 2 produces the same CIFs, predictions and file names.
+
+## Citation
+
+```bibtex
+@article{meidnet2026,
+  title   = {MEIDNet: Multimodal generative AI framework for inverse materials design},
+  author  = {Anand Babu and Rog{\'e}rio Almeida Gouv{\^e}a and Pierre Vandergheynst and Gian-Marco Rignanese},
+  journal = {npj Computational Materials},
+  year    = {2026},
+  doi     = {10.1038/s41524-026-02153-3}
+}
+```
+
+MIT licence. Perov-5 data: Xie et al., CDVAE (ICLR 2022); Castelli et al. (2012).
+
+## Further reading
+
+- A. Babu, R. Almeida Gouvêa, G.-M. Rignanese, *Toward automated discovery with generative models multimodal
+  learning and closed loop workflows in inverse materials design*, Cell Reports Physical Science **7**, 103561
+  (2026). [doi:10.1016/j.xcrp.2026.103561](https://doi.org/10.1016/j.xcrp.2026.103561)
+- A. Babu, N. M. A. Krishnan, *Multimodal and cross-modal learning techniques*, APL Machine Learning **4**, 030901
+  (2026). [doi:10.1063/5.0346744](https://doi.org/10.1063/5.0346744)

meidnet-2.2.0/meidnet/__init__.py

@@ -0,0 +1,20 @@
+"""
+MEIDNet — Multimodal Equivariant Inverse Design Network
+=======================================================
+
+Learn a shared latent space between crystal structures and their properties,
+then search it for new materials that hit property targets while obeying the
+chemical and structural rules of a material family.
+
+Typical use (the same steps the ``meidnet`` command runs)::
+
+    from meidnet.config import load_config
+    from meidnet.pipeline import check, train, generate
+
+    cfg = load_config("meidnet.yaml")
+    check(cfg)        # is my data usable?  (writes check_report.html)
+    train(cfg)        # learn the latent space (writes model.pt + training_report.html)
+    generate(cfg)     # design candidates (writes CIFs + generation_report.html)
+"""
+
+__version__ = "2.2.0"