SZBL-IDEA/MD

DD-13M: Enhanced Sampling, Public Dataset and Generative Model for Drug-Protein Dissociation Dynamics Maodong Li*, Jiying Zhang*, Bin Feng, Wenqi Zeng, Dechin Chen, Zhijun Pan, Yu Li, Zijing Liu, Yi Isaac Yang *Equal contribution Paper link Official code license: afl-3.0 language: - en tags: - biology - chemistry size_categories: - 100B<n<1T We propose an enhanced sampling strategy to efficiently implement the drug-protein dissociation process in MD simulations and estimate… See the full description on the dataset page: https://huggingface.co/datasets/SZBL-IDEA/MD.

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