YANGJJ93_MS's Projects
An open-source Python package for efficient accession and visualization of Bruker TimsTOF raw data from the Mann Labs at the Max Planck Institute of Biochemistry.
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in vitro (animal free) measurements. The predictions can be used for traditional dosimetry as well as in vivo-in vitro extrapolation (IVIVE). This repository is for reporting bugs and contributing enhancements.
Metabolomics software for database-assisted deconvolution of MS/MS spectra
This is for exploring the DEIMoS system
《Hello 算法》:动画图解、一键运行的数据结构与算法教程,支持 Java, C++, Python, Go, JS, TS, C#, Swift, Rust, Dart, Zig 等语言。
Code associated with the manuscript: Deep Neural Networks for Classification of LC-MS Spectral Peaks
Mining Information from Single-Cell high-throughput transcriptome data
pyOpenMS readthedocs documentation, additional utilities, addons, scripts, and examples.