Science Score: 49.0%
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○CITATION.cff file
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✓codemeta.json file
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✓.zenodo.json file
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✓DOI references
Found 1 DOI reference(s) in README -
✓Academic publication links
Links to: biorxiv.org -
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○Scientific vocabulary similarity
Low similarity (10.5%) to scientific vocabulary
Repository
initial repo
Basic Info
- Host: GitHub
- Owner: baaihealth
- Default Branch: main
- Size: 746 KB
Statistics
- Stars: 0
- Watchers: 2
- Forks: 0
- Open Issues: 0
- Releases: 0
Metadata Files
README.md
Will release soon, please stay tune.
OpenComplex2
OpenComplex2 (OC2) is a generative foundation model that bridges static structure prediction and dynamic ensemble modeling of biomolecular systems. Unlike traditional structure prediction methods that focus solely on a single conformation, OC2 can efficiently sample thermodynamically relevant conformational ensembles, providing insights into molecular function that static structures alone cannot capture.
Key Features
📊 Equilibrium Ensemble Sampling * NMR-Validated Distributions: Accurately reproduces experimentally determined conformational ensembles * MD-Comparable Sampling: Achieves sampling quality comparable to millisecond-scale molecular dynamics simulations at a fraction of the computational cost
🧬 High-Accuracy Structure Prediction * State-of-the-Art Accuracy: Competitive with specialized structure prediction tools on standard benchmarks Ultra-Large Assemblies: Efficiently models assemblies exceeding 15,000 residues through symmetry-aware optimizations * Precise Small Molecule Modeling: Accurate stereochemical modeling of ligands and identification of multiple binding modes
Citation
If you find our open-sourced code & models helpful to your research, please also consider star🌟 and cite📑 this repo. Thank you for your support!
@article{opencomplex2025towards,
title={Towards Unraveling Biomolecular Conformational Landscapes with a Generative Foundation Model},
author={OpenComplex Team},
journal={bioRxiv},
pages={2025--05},
year={2025},
publisher={Cold Spring Harbor Laboratory}
}
Contact Information
For help or issues using the repos, please submit a GitHub issue.
For other communications, please contact Qiwei Ye (qwye@baai.ac.cn).
Owner
- Name: baaihealth
- Login: baaihealth
- Kind: organization
- Repositories: 2
- Profile: https://github.com/baaihealth
GitHub Events
Total
- Push event: 1
Last Year
- Push event: 1