Work

MolCrysKit: A Topology-Aware Toolkit for Bridging Experimental Molecular-Crystal Structures and Simulation-Ready Modeling

Year: 2026

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.6c00168

Authors: Ming-Yu Guo, Wei-Xiong Zhang

Institution: Sun Yat-sen University

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: closed

Funders: National Natural Science Foundation of China, Sun Yat-sen University, Guangzhou Science and Technology Program key projects

Awards: G2172657176, G2365144073, G2816033440, G4368547126

OpenAlex ID: W7157075733

FWCI:

Cites: 41

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