AIDD Open-Source Resources

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.

Contents

1. EPT
2. UniPath
3. MiSI

EPT

An Equivariant Pretrained Transformer for Unified 3D Molecular Representation Learning

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.

• Source code and full README
• Original GitHub repository
• Preprocessed datasets

The complete upstream README is preserved at EPT/README.md, including setup, data preparation, training, evaluation, citation, and contact information.

UniPath

One Path to Model Them All: Learnable-Time Flow Matching for Crystal Structure and Energy Prediction

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.

• Source code and full README
• Original GitHub repository
• Paper
• Checkpoints
• Datasets

The complete upstream README is preserved at 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.

MiSI

The MiSI benchmark has been open-sourced on Hugging Face:

• MiSI-bench

Provenance

Project	Upstream source	Mirrored revision
EPT	jiaor17/EPT	main (481a55016c777d19ae06587813f0569b360abe0b)
UniPath	GLAD-RUC/UniPath	main (4ce59f81cc06c75b597f62074f59d736b6d997aa)

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.