Shipei Xing's Projects
Awesome-LLM: a curated list of Large Language Model
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
Molecular formula discovery via bottom-up MS/MS interrogation
C# source code of BUDDY
DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)
Python modules to calculate formula and formula with adduct properties such as the monoisotopic mass, the monoisotopic mass knowing an adduct, isotope patterns, etc..
Universal icon framework. One syntax for FontAwesome, Material Design Icons, DashIcons, Feather Icons, EmojiOne, Noto Emoji and many other open source icon sets (over 150 icon sets and 200k icons). SVG framework, React, Vue and Svelte components!
R package for MetaboAnalyst
Using MASST or fastMASST, adding metadata onto a tree ontology for microbes
Encoding MS/MS spectra using formula transformers for inferring molecular properties
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
a python package for molecular formula analysis in MS-based small molecule studies
personal repo