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asari, metabolomics data preprocessing

Python 56 12 Updated Dec 5, 2025

mzmine source code repository

Java 250 152 Updated Dec 19, 2025

Documentation for GNPS and related tools as written in mkdocs

HTML 43 89 Updated Dec 10, 2025
Python 10 3 Updated Dec 19, 2025

📦 Repomix is a powerful tool that packs your entire repository into a single, AI-friendly file. Perfect for when you need to feed your codebase to Large Language Models (LLMs) or other AI tools lik…

TypeScript 20,722 950 Updated Dec 21, 2025

Bin Chicken - recovery of low abundance and taxonomically targeted metagenome assembled genomes (MAGs) through strategic coassembly

HTML 67 4 Updated Dec 17, 2025

Single-cell analysis in Python. Scales to >100M cells.

Python 2,298 685 Updated Dec 19, 2025
Python 49 2 Updated Aug 19, 2024

A parser to read .imzML files with python

Python 48 20 Updated Nov 4, 2024

Spatial Single Cell Analysis in Python

Python 544 100 Updated Dec 17, 2025

SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)

Java 130 33 Updated Nov 7, 2025

Prov-GigaPath: A whole-slide foundation model for digital pathology from real-world data

Python 559 89 Updated May 16, 2025

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

C++ 1,259 451 Updated Mar 4, 2025

A generalized computational framework for biomolecular modeling.

Python 372 35 Updated Dec 19, 2025

Central repository for biomolecular foundation models with shared trainers and pipeline components

Python 586 77 Updated Dec 20, 2025

A highly scalable, user-interactive tool for the large scale analysis of Biosynthetic Gene Clusters data

Python 90 40 Updated Aug 11, 2025

Multiple Protein Structure Alignment at Scale with FoldMason

C 203 21 Updated Oct 17, 2025

The official sources for the RDKit library

HTML 3,215 958 Updated Dec 20, 2025

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Python 1,392 335 Updated May 2, 2025

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

Groovy 370 51 Updated Dec 12, 2025

fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and…

C 425 78 Updated Sep 9, 2024

Windows X-server based on the xorg git sources (like xming or cygwin's xwin), but compiled with Visual Studio 2012 Community Edition.

C 926 59 Updated Oct 20, 2025

AutoDock Vina

C++ 873 274 Updated Dec 18, 2025

ColabFold on your local PC

Python 801 171 Updated Jun 26, 2025

Foldseek enables fast and sensitive comparisons of large structure sets.

C 1,128 140 Updated Dec 19, 2025

A deep learning framework for molecular docking

C++ 817 176 Updated Nov 3, 2025

MMseqs2: ultra fast and sensitive search and clustering suite

C 1,919 261 Updated Dec 5, 2025

Scalable annotated de Bruijn graphs for DNA indexing, alignment, and assembly

C++ 213 26 Updated Dec 14, 2025

Follow up to Grace Blackwell's 661k dataset, for 2023

Python 127 11 Updated Aug 22, 2025
Python 2,182 267 Updated Nov 24, 2025
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