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microsoft / AI2BMD

AI-powered ab initio biomolecular dynamics simulation
MIT License
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It's a perfect job, but I wonder if the system can be used for protein-ligand complex systems, which are not mentioned in the paper. #17

Closed noah123-debug closed 1 week ago

noah123-debug commented 2 weeks ago

It's a perfect job, but I wonder if the system can be used for protein-ligand complex systems, which are not mentioned in the paper.

ElwynWang commented 2 weeks ago

The current version of AI2BMD supports the proteins with a single chain. We'll update it to support more scenarios in the future study.