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Software Infrastructure for Next-Generation QM/MM−ΔMLP Force Fields
UploadAlchemical Enhanced Sampling with Optimized Phase Space Overlap
UploadDissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis
Download from pubs.acs.orgQDπ: A Quantum Deep Potential Interaction Model for Drug Discovery
Download from pubs.acs.orgMultireference Generalization of the Weighted Thermodynamic Perturbation Method
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