Cryxpp晶体预测
Web晶泰科技提供基于计算化学与人工智能方法的药物晶型预测(CSP)服务,为晶型研究提供全新的解决方案。. 我们快速、高效、高精度的CSP服务可以锁定药物分子所存在的最稳 … WebCN111882044B CN202410778523.4A CN202410778523A CN111882044B CN 111882044 B CN111882044 B CN 111882044B CN 202410778523 A CN202410778523 A CN 202410778523A CN 111882044 B CN111882044 B CN 111882044B Authority CN China Prior art keywords eutectic graph sample neural network node Prior art date 2024-08-05 …
Cryxpp晶体预测
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Web海归学者发起的公益学术平台. 分享信息,整合资源. 交流学术,偶尔风月. 近年来,机器学习技术已经广泛应用于晶体材料不同性质的预测,从而促进对大型材料搜索空间的快速筛选。 WebMar 18, 2024 · Overview. We propose Crystal eXplainable Property Predictor (CrysXPP), which realizes a crystalline material as a graph structure (say \ ( { { {\mathcal {G}}}}\)) and …
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