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5146353
docs: refresh project landing pages
Aug 1, 2026
b2cfa37
fix(docs): restore theme-aware logo
Aug 1, 2026
1fe126b
fix(docs): restore homepage citations
Aug 1, 2026
d5aee98
fix(docs): restore citation badges
Aug 1, 2026
a021487
fix(docs): preserve landing page behavior
Aug 1, 2026
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fix(docs): direct installs to documentation
Aug 1, 2026
2293e73
fix(docs): restore dp1s quick install
Aug 1, 2026
01b0de4
fix(docs): restore logo guide link
Aug 1, 2026
49d2e41
docs: address landing page review feedback
Aug 2, 2026
20b636a
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 2, 2026
c440a4a
docs: make pretrained fine-tune command use PyTorch mode and model br…
njzjz Aug 3, 2026
baa719a
docs: defer model family detail to the docs page
Aug 4, 2026
c21e90b
docs: use the fixed DPA-3.2-5M download path in the fine-tune example
Aug 4, 2026
f57cd5a
docs: add lossless DPA-4 performance graphic
njzjz-bot Aug 5, 2026
b4310f8
docs: spell DPA4 consistently in benchmark graphic
njzjz-bot Aug 5, 2026
e5acc80
Update README.md
njzjz Aug 7, 2026
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[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 7, 2026
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docs: address remaining landing page reviews
njzjz-bot Aug 10, 2026
fc64ecf
docs: highlight pretrained fine-tuning workflows
njzjz-bot Aug 10, 2026
aa7bc82
docs: clarify LoRA scope and update DPA-3 citation
njzjz Aug 14, 2026
bcb781f
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 14, 2026
53deae8
docs: update DPA-3 bibliography reference
njzjz Aug 14, 2026
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69 changes: 69 additions & 0 deletions CITATIONS.bib
Original file line number Diff line number Diff line change
Expand Up @@ -86,6 +86,22 @@ @article{Zeng_JChemTheoryComput_2025_v21_p4375
},
}

@article{Han_CommunComputPhys_2018_v23_p629,
annote = {Deep Potential},
title = {
{Deep Potential: A General Representation of a Many-Body Potential Energy
Surface}
},
author = {Jiequn Han and Linfeng Zhang and Roberto Car and Weinan E},
journal = {Commun. Comput. Phys.},
year = 2018,
volume = 23,
number = 3,
pages = {629--639},
doi = {10.4208/cicp.OA-2017-0213},
url = {https://arxiv.org/abs/1707.01478},
}

@article{Lu_CompPhysCommun_2021_v259_p107624,
annote = {GPU support},
title = {
Expand Down Expand Up @@ -120,6 +136,18 @@ @article{Zhang_PhysRevLett_2018_v120_p143001
doi = {10.1103/PhysRevLett.120.143001},
}

@article{Zhang_JChemPhys_2018_v149_p34101,
annote = {coarse-grained model (DeePCG)},
title = {{DeePCG: Constructing Coarse-Grained Models via Deep Neural Networks}},
author = {Linfeng Zhang and Jiequn Han and Han Wang and Roberto Car and Weinan E},
journal = {J. Chem. Phys.},
year = 2018,
volume = 149,
number = 3,
pages = 034101,
doi = {10.1063/1.5027645},
}

@incollection{Zhang_BookChap_NIPS_2018_v31_p4436,
annote = {DeepPot-SE (se\_e2\_a, se\_e2\_r, se\_e3, se\_atten)},
title = {
Expand Down Expand Up @@ -196,6 +224,35 @@ @article{Zhang_npjComputMater_2024_v10_p293
doi = {10.1038/s41524-024-01493-2},
}

@article{Zhang_npjComputMater_2026_DPA3,
annote = {DPA-3 descriptor (dpa3)},
author = {
Duo Zhang and Anyang Peng and Chun Cai and Wentao Li and Yuanchang Zhou and
Jinzhe Zeng and Mingyu Guo and Chengqian Zhang and Bowen Li and Hong Jiang
and Tong Zhu and Weile Jia and Linfeng Zhang and Han Wang
},
title = {{A Graph Neural Network for the Era of Large Atomistic Models}},
Comment thread
OutisLi marked this conversation as resolved.
journal = {npj Comput. Mater.},
year = 2026,
doi = {10.1038/s41524-026-02146-2},
}

@misc{Li_2026_DPA4,
annote = {DPA-4 descriptor (dpa4, sezm)},
author = {
Tiancheng Li and Wentao Li and Anyang Peng and Jianming Xue and Linfeng
Zhang and Duo Zhang and Han Wang
},
title = {
{{DPA4}: Pushing the Accuracy-Cost Frontier of Interatomic Potentials with
{EMFA} {SO(2)} Convolution}
},
publisher = {arXiv},
year = 2026,
doi = {10.48550/arXiv.2606.02419},
url = {https://arxiv.org/abs/2606.02419},
}

@article{Zhang_PhysPlasmas_2020_v27_p122704,
annote = {frame-specific parameters (e.g. electronic temperature)},
author = {
Expand Down Expand Up @@ -262,6 +319,18 @@ @article{Sommers_PhysChemChemPhys_2020_v22_p10592
doi = {10.1039/D0CP01893G},
}

@misc{Ahart_2026_DeepPolaron,
annote = {atomic charge population (DeepPopulation)},
author = {Christian S. Ahart and Denan Li and Jochen Blumberger and Shi Liu},
title = {
{Polaron Transport in {TiO}$_{2}$ from Machine Learning Molecular Dynamics}
},
publisher = {arXiv},
year = 2026,
doi = {10.48550/arXiv.2606.01763},
url = {https://arxiv.org/abs/2606.01763},
}

@article{Zeng_JChemTheoryComput_2023_v19_p1261,
annote = {fit relative energies},
author = {Jinzhe Zeng and Yujun Tao and Timothy J Giese and Darrin M York},
Expand Down
323 changes: 240 additions & 83 deletions README.md

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45 changes: 45 additions & 0 deletions doc/credits.rst
Original file line number Diff line number Diff line change
Expand Up @@ -15,6 +15,24 @@ Cite DeePMD-kit and methods
Zeng_JChemPhys_2023_v159_p054801
Zeng_JChemTheoryComput_2025_v21_p4375

.. _cite-deep-potential:

- If the original Deep Potential model is used,

.. bibliography::
:filter: False

Han_CommunComputPhys_2018_v23_p629

.. _cite-deepcg:

- If the DeePCG coarse-grained model is used,

.. bibliography::
:filter: False

Zhang_JChemPhys_2018_v149_p34101

- If GPU version is used,

.. bibliography::
Expand Down Expand Up @@ -57,6 +75,24 @@ Cite DeePMD-kit and methods

Zhang_npjComputMater_2024_v10_p293

.. _cite-dpa3:

- If DPA-3 descriptor (`dpa3`) is used,

.. bibliography::
:filter: False

Zhang_npjComputMater_2026_DPA3

.. _cite-dpa4:

- If DPA-4 descriptor (`dpa4`, `sezm`) is used,

.. bibliography::
:filter: False

Li_2026_DPA4

- If frame-specific parameters (`fparam`, e.g. electronic temperature) is used,

.. bibliography::
Expand Down Expand Up @@ -85,6 +121,15 @@ Cite DeePMD-kit and methods

Sommers_PhysChemChemPhys_2020_v22_p10592

.. _cite-deeppopulation:

- If fitting atomic charge populations with DeepPopulation,

.. bibliography::
:filter: False

Ahart_2026_DeepPolaron

- If fitting density of states,

.. bibliography::
Expand Down
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