Philipbear
Mass spectrometry informatics, Metabolomics, Analytical chemistry
University of California San DiegoSan Diego
Pinned Repositories
ai-for-grant-writing
A curated list of resources for using LLMs to develop more competitive grant applications.
BUDDY_Metabolomics
Molecular formula discovery via bottom-up MS/MS interrogation
BUDDY_source
C# source code of BUDDY
microbe_masst
Using MASST or fastMASST, adding metadata onto a tree ontology for microbes
mist
Encoding MS/MS spectra using formula transformers for inferring molecular properties
ms1_id
Annotate full-scan MS data using MS/MS libraries
msbuddy
a python package for molecular formula analysis in MS-based small molecule studies
Philipbear
personal repo
reverse_metabolomics
reverse metabolomics for MS/MS library generation
Reverse_metabolomics_library_generation
generate library for reverse metabolomics
Philipbear's Repositories
Philipbear/msbuddy
a python package for molecular formula analysis in MS-based small molecule studies
Philipbear/BUDDY_Metabolomics
Molecular formula discovery via bottom-up MS/MS interrogation
Philipbear/BUDDY_source
C# source code of BUDDY
Philipbear/ms1_id
Annotate full-scan MS data using MS/MS libraries
Philipbear/reverse_metabolomics
reverse metabolomics for MS/MS library generation
Philipbear/microbe_masst
Using MASST or fastMASST, adding metadata onto a tree ontology for microbes
Philipbear/mist
Encoding MS/MS spectra using formula transformers for inferring molecular properties
Philipbear/Philipbear
personal repo
Philipbear/ai-for-grant-writing
A curated list of resources for using LLMs to develop more competitive grant applications.
Philipbear/Awesome-LLM
Awesome-LLM: a curated list of Large Language Model
Philipbear/bert-loves-chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
Philipbear/DreaMS
DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)
Philipbear/formula_validation
Python modules to calculate formula and formula with adduct properties such as the monoisotopic mass, the monoisotopic mass knowing an adduct, isotope patterns, etc..
Philipbear/MetaboAnalystR
R package for MetaboAnalyst
Philipbear/assembly_go
Philipbear/falcon
Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.
Philipbear/GNPSDataPackage
Philipbear/iconify
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!
Philipbear/LibrarySearch_Workflow
Philipbear/masscube
Philipbear/MassSpecGym
MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)
Philipbear/MolCLR
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
Philipbear/molformer
Philipbear/myopic-mces
Philipbear/pwiz
The ProteoWizard Library is a set of software libraries and tools for rapid development of mass spectrometry and proteomic data analysis software.
Philipbear/PyFingerprint
Python tool for generate fingerprints of a molecule
Philipbear/PySR
High-Performance Symbolic Regression in Python and Julia
Philipbear/shipei-xing
personal webpage