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| license: cc-by-4.0 |
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| # AIDD Open-Source Resources |
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| This repository brings together open-source resources for three projects: **EPT**, **UniPath**, and **MiSI**. The EPT and UniPath source trees are mirrored here from their official GitHub repositories, including their original README documentation. The MiSI benchmark is released separately on Hugging Face. |
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| ## Contents |
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| 1. [EPT](#ept) |
| 2. [UniPath](#unipath) |
| 3. [MiSI](#misi) |
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| ## EPT |
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| ### An Equivariant Pretrained Transformer for Unified 3D Molecular Representation Learning |
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| EPT provides an equivariant pretrained transformer for unified 3D molecular representation learning. The release includes environment setup, preprocessing pipelines for molecular and protein data, multi-domain pretraining, and downstream fine-tuning/evaluation on LBA, MSP, and MPP tasks. |
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| - [Source code and full README](./EPT/README.md) |
| - [Original GitHub repository](https://github.com/jiaor17/EPT) |
| - [Preprocessed datasets](https://doi.org/10.6084/m9.figshare.c.8197622) |
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| The complete upstream README is preserved at [`EPT/README.md`](./EPT/README.md), including setup, data preparation, training, evaluation, citation, and contact information. |
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| ## UniPath |
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| ### One Path to Model Them All: Learnable-Time Flow Matching for Crystal Structure and Energy Prediction |
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| UniPath presents learnable-time flow matching for crystal structure and energy prediction. The release includes setup instructions, checkpoint and dataset download guidance, sampling and evaluation commands, multi-stage training pipelines, and reproducibility notes. |
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| <div align="center"> |
| <a href="https://huggingface.co/BAAI/AIDD/resolve/main/UniPath/assets/UniPath_Poster.png"> |
| <img src="https://huggingface.co/BAAI/AIDD/resolve/main/UniPath/assets/UniPath_Poster.png" alt="UniPath KDD 2026 poster" width="900"> |
| </a> |
| </div> |
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| - [Source code and full README](./UniPath/README.md) |
| - [Original GitHub repository](https://github.com/GLAD-RUC/UniPath) |
| - [Paper](https://dl.acm.org/doi/pdf/10.1145/3770855.3818902) |
| - [Checkpoints](https://huggingface.co/Wthinker/UniPath) |
| - [Datasets](https://huggingface.co/datasets/Wthinker/UniPath) |
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| The complete upstream README is preserved at [`UniPath/README.md`](./UniPath/README.md). Its poster link was rewritten to an absolute Hugging Face `resolve/main` URL so that it renders correctly from the repository landing page. The upstream README referenced a poster PDF that was not present in the source repository, so the migrated link opens the available full-resolution PNG instead. |
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| ## MiSI |
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| The **MiSI benchmark** has been open-sourced on Hugging Face: |
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| - [MiSI-bench](https://huggingface.co/datasets/zongzhao/MiSI-bench) |
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| ## Provenance |
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| | Project | Upstream source | Mirrored revision | |
| |---|---|---| |
| | EPT | [jiaor17/EPT](https://github.com/jiaor17/EPT) | `main` (`481a55016c777d19ae06587813f0569b360abe0b`) | |
| | UniPath | [GLAD-RUC/UniPath](https://github.com/GLAD-RUC/UniPath) | `main` (`4ce59f81cc06c75b597f62074f59d736b6d997aa`) | |
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| Please consult each project directory for its documentation and any project-specific licensing information. The `cc-by-4.0` metadata above applies to this Hugging Face repository's Model Card metadata and does not replace upstream notices. |
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