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A comprehensive macromolecular library

TypeScript 963 243 Updated Jun 15, 2026

AlphaFold 3 inference pipeline.

Python 8,239 1,270 Updated Jun 9, 2026

Deep learning framework for proteomics

Jupyter Notebook 154 26 Updated Jun 10, 2026

Open-source C++ and Python module for opening binary timsTOF data files.

C 50 14 Updated Apr 22, 2026
Python 22 9 Updated Jun 28, 2021

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.

Python 96 29 Updated Jun 3, 2026

DeepMRM: a targeted proteomics data interpretation tool

Python 4 2 Updated Dec 21, 2023

A javascript library for diffing text and generating corresponding HTML views

JavaScript 1,475 262 Updated May 18, 2024

A list of tools on proteomics using deep learning

108 26 Updated May 14, 2026

DeepMass is a suite of tools to enable mass spectrometry data analysis using modern machine learning techniques.

Python 53 13 Updated Nov 18, 2021

pyOpenMS workshop Metabolomics Pre-Processing

Jupyter Notebook 10 1 Updated May 10, 2022

The codebase of the OpenMS project

C++ 601 430 Updated Jun 19, 2026

Prosit offers high quality MS2 predicted spectra for any organism and protease as well as iRT prediction. When using Prosit is helpful for your research, please cite "Gessulat, Schmidt et al. 2019"…

Python 93 45 Updated Aug 17, 2023

DIA-NN - a universal automated software suite for DIA proteomics data analysis.

C++ 448 80 Updated Jun 18, 2026

Integrating precursors' intensity from Spectronaut data

C# 3 Updated Aug 3, 2024

AutoRT: Peptide retention time prediction using deep learning

Jupyter Notebook 30 9 Updated Jul 31, 2024

program for exploring properties of signal peptides

R 1 1 Updated Jul 10, 2014

Microsoft PowerToys is a collection of utilities that supercharge productivity and customization on Windows

C 135,233 8,119 Updated Jun 19, 2026

This repostory contains codes for Shimada et al., "A tool for browsing the Cancer Dependency Map reveals functional connections between genes and helps predict the efficacy and selectivity of candi…

R 13 8 Updated Sep 3, 2021

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible ren…

C++ 78 15 Updated Sep 11, 2021

Personal Notes

Python 23 38 Updated Mar 12, 2026

Protein-compound affinity prediction through unified RNN-CNN

Python 154 31 Updated Jul 19, 2024

Automatically exported from code.google.com/p/ea-utils

C++ 97 65 Updated Jun 8, 2023

Interactive viewer of phylogenetic trees

JavaScript 200 77 Updated Jun 16, 2026

Create DSSP and HSSP files

C++ 95 19 Updated Jul 18, 2024

A dependency-free cross-platform swiss army knife for PDB files.

Python 455 121 Updated Jun 10, 2026

DeepSMILES - A variant of SMILES for use in machine-learning

Python 146 32 Updated May 24, 2021

The Springy physics simulation layout for Cytoscape.js

JavaScript 3 3 Updated Jan 29, 2018

Autodock/Vina plugin for PyMol by Daniel Seeliger

Python 28 28 Updated Oct 23, 2017
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