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174 积分 2023-06-06 加入
SchNetPack 2.0: A neural network toolbox for atomistic machine learning
12小时前
已完结
iPowder: advanced software for automated high-throughput X-ray diffraction analysis
18天前
已关闭
Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein
1个月前
已完结
Guided diffusion for inverse molecular design
1个月前
已完结
Annotating metabolite mass spectra with domain-inspired chemical formula transformers
2个月前
已完结
Defect modeling and control in structurally and compositionally complex materials
2个月前
已完结
AI protocol for retrieving protein dynamic structures from two-dimensional infrared spectra
2个月前
已完结
Interlink between Abnormal Water Imbibition in Hydrophilic and Rapid Flow in Hydrophobic Nanochannels
3个月前
已完结
Decoupled peak property learning for efficient and interpretable electronic circular dichroism spectrum prediction
3个月前
已关闭
The Art of Finding the Right Drug Target: Emerging Methods and Strategies
4个月前
已完结
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