hcji
I'm Hongchao Ji, a Principal Investigator at CAAS, specializing in developing MS-based data analysis methods for proteomics and metabolomics.
Agricultural Genomics Institute at Shenzhen-CAASShenzhen, China
Pinned Repositories
AutoMS
Deep Denoising Autoencoder-assisted Continuous Scoring of Peak Quality in High-Resolution LC−MS Data
DeepEI
Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
DeepMASS
A known-to-unknown metabolite identification workflow
DeepMASS2_GUI
DeepMASS2 is a cross-platform GUI software tool, which enables deep-learning based metabolite annotation via semantic similarity analysis of mass spectral language.
MAPS-iTSA
Matrix-Augmented Pooling Strategy for High-Throughput Target Deconvolution Reveals Cell Type Off-targets and Responses
ProSAP
ProSAP: A GUI Software Tool for Statistical Analysis and Assessment in Thermal Shift Assay
PyCFMID
This package is a python warpper for CFM-ID
PyFingerprint
Python tool for generate fingerprints of a molecule
seq_encode
Convert SMILES (chemical structure) to one-hot matrix.
TarMet
An R package and Shiny App for MS-Based Targeted Metabolic Analyses
hcji's Repositories
hcji/PyFingerprint
Python tool for generate fingerprints of a molecule
hcji/DeepEI
Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
hcji/KPIC2
KPIC2: An Effective Framework for Mass Spectrometry-Based Metabolomics Using Pure Ion Chromatograms
hcji/DeepMASS2_GUI
DeepMASS2 is a cross-platform GUI software tool, which enables deep-learning based metabolite annotation via semantic similarity analysis of mass spectral language.
hcji/pycdk
A Python wrapper for the CDK
hcji/MAPS-iTSA
Matrix-Augmented Pooling Strategy for High-Throughput Target Deconvolution Reveals Cell Type Off-targets and Responses
hcji/AutoMS2
AutoMS is an open-source software Python library for LC-MS data management and analyses.
hcji/awesome-mass-spectrometry-ml
Awesome papers and codes list of analytical chemistry-related deep learning methods
hcji/All_CASMI
hcji/DeepMASS2_Data_Processing
hcji/msbuddy
Python API & CLI for molecular formula analysis in MS-based small molecule studies
hcji/AutoMS_GUI
hcji/awesome-free-chatgpt
🆓免费的 ChatGPT 镜像网站列表，持续更新。List of free ChatGPT mirror sites, continuously updated.
hcji/awesome-mass-spectral-libraries
hcji/DeepMASS_Webserver
hcji/DeepPurpose
A Drug-Target Interaction Prediction Toolkit with State-of-the-Art Deep Learning Methods and its Applications in Drug Repurposing and Virtual Screening
hcji/DerivaPredict
hcji/FederEI
hcji/GNN-RT
hcji/hcji
hcji/ICVAE
hcji/matchms
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
hcji/ms2deepscore
Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
hcji/SigmaCCS
Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification
hcji/SimCSE
[EMNLP 2021] SimCSE: Simple Contrastive Learning of Sentence Embeddings https://arxiv.org/abs/2104.08821
hcji/sirius-libs
sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java
hcji/spec2vec
Word2Vec based similarity measure of mass spectrometry data.
hcji/spectral_denoising
this is the repository for publication contents for spectral denoising paper
hcji/subformula_graph
A loose collection of modules which can read mass spectral data (EI-MS or MS/MS), produce a ranked list of formula annotations using the parent subformula graph (PSG) method, and then for every (possible) mass peak in the mass spectrum, visualise the annotated mass spectrum as a 2 dimensional fragment plot.
hcji/TeFT