Efficient 3D Molecular Design with an E(3) Invariant Transformer VAE
Author:
Affiliation:
1. Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, United States
2. escience Institute, University of Washington, Seattle, Washington 98195, United States
Funder
Bioenergy Technologies Office
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c04188
Reference55 articles.
1. Inverse Strategies for Molecular Design
2. Data Science in Chemical Engineering: Applications to Molecular Science
3. Automated design and optimization of multitarget schizophrenia drug candidates by deep learning
4. Broadly applicable and accurate protein design by integrating structure prediction networks and diffusion generative models
5. Inverse design of nanoporous crystalline reticular materials with deep generative models
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3