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# MULTICOM_ligand
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[![Paper](http://img.shields.io/badge/arXiv-2405.14108-B31B1B.svg)](https://www.authorea.com/users/885651/articles/1263768-protein-ligand-structure-and-affinity-prediction-in-casp16-using-a-geometric-deep-learning-ensemble-and-flow-matching?commit=81affaec47d6d23f58d02a1e7bbbdfcb09935ef7)
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[![Paper](http://img.shields.io/badge/arXiv-2405.14108-B31B1B.svg)](https://onlinelibrary.wiley.com/doi/10.1002/prot.26827)
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[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.11477766.svg)](https://doi.org/10.5281/zenodo.11477766)
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[![PyPI version](https://badge.fury.io/py/multicom_ligand.svg)](https://badge.fury.io/py/multicom_ligand)
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[![Project Status: Active – The project has reached a stable, usable state and is being actively developed.](https://www.repostatus.org/badges/latest/active.svg)](https://www.repostatus.org/#active)
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If you use the code or benchmark method predictions associated with this repository or otherwise find this work useful, please cite:
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```bibtex
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@inproceedings{morehead2024multicom,
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title={Protein-ligand structure and affinity prediction in CASP16 using a geometric deep learning ensemble and flow matching},
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@article{morehead2025protein,
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title={Protein-Ligand Structure and Affinity Prediction in CASP16 Using a Geometric Deep Learning Ensemble and Flow Matching},
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author={Morehead, Alex and Liu, Jian and Neupane, Pawan and Giri, Nabin and Cheng, Jianlin},
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booktitle={CASP16 Abstracts},
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journal={Proteins: Structure, Function, and Bioinformatics},
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year={2025},
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publisher={Wiley Online Library},
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note={presented at CASP16 as a top-5 ligand prediction method},
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}
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```

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