Source code of AllCCS. Prediction function was provided in AllCCS web server (http://allccs.zhulab.cn/).
☆10Mar 1, 2022Updated 4 years ago
Alternatives and similar repositories for AllCCS
Users that are interested in AllCCS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification☆19Jun 19, 2023Updated 3 years ago
- ☆28Nov 30, 2023Updated 2 years ago
- Collisional cross-section prediction for modified and multiconformational peptides☆14Aug 26, 2026Updated 2 months ago
- DLL and SO from Bruker.☆12Feb 25, 2026Updated 8 months ago
- ☆14Apr 12, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Knowledge-guided multilayer network approach is executed in MetDNA2☆16Nov 5, 2022Updated 3 years ago
- [Nature Communications] Formula IDentification from tandem mass spectra by Deep LEarning☆16Oct 19, 2026Updated last week
- Retip - Retention Time prediction for metabolomics☆33Jun 6, 2024Updated 2 years ago
- MassKG is a knowledge-based computational tool for annotating mass spectra of natural products and discovering novel structures from crud…☆12Mar 8, 2025Updated last year
- Bottom-up MS/MS interrogation & Experiment-specific global annotation☆32Dec 19, 2024Updated last year
- Streamlining Mass Spectrometry Data Visualization with Pandas☆25Updated this week
- ☆41Updated this week
- ☆11Updated this week
- LipidFinder: A computational workflow for discovery of new lipid molecular species☆22Feb 14, 2021Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A collection of awesome lipidomics tools and resources☆19Jun 23, 2022Updated 4 years ago
- Reference pipeline for FDR-controlled metabolite annotation for imaging mass spectrometry☆21Nov 15, 2016Updated 9 years ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 4 years ago
- Convert MSP files into a database☆10May 4, 2021Updated 5 years ago
- CANOPUS visualization for Jupyter notebook☆20Mar 9, 2022Updated 4 years ago
- Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)☆25Nov 11, 2024Updated last year
- ☆11Nov 30, 2024Updated last year
- An open-source prediction framework for peptide ion collision cross section (CCS) values with python.☆15Oct 6, 2023Updated 3 years ago
- GLEAMS is a Learned Embedding for Annotating Mass Spectra.☆29Aug 16, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- R Interface to the ClassyFire REST API☆15Aug 21, 2026Updated 2 months ago
- pyOpenMS readthedocs documentation, additional utilities, addons, scripts, and examples.☆52Apr 9, 2026Updated 6 months ago
- Overview of the machine learning project and various sub-tasks.☆10Updated this week
- ☆12Feb 20, 2026Updated 8 months ago
- pathway and network analysis for metabolomics☆44Dec 8, 2025Updated 10 months ago
- a python package for molecular formula analysis in MS-based small molecule studies☆41Aug 27, 2026Updated 2 months ago
- ☆13Jan 16, 2025Updated last year
- Repo hosting the MetFrag website☆11Apr 6, 2026Updated 6 months ago
- Python pipeline for metabolomics data preprocessing, QC, standardization and annotation☆20Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆31Jan 15, 2026Updated 9 months ago
- R interface to Chemical Translation Service (CTS)☆17Jul 27, 2024Updated 2 years ago
- Efficiently predicting high resolution mass spectra with graph neural networks☆32Aug 3, 2023Updated 3 years ago
- data processing for MS-based metabolomics☆15May 28, 2026Updated 4 months ago
- ☆15Jul 4, 2023Updated 3 years ago
- ☆12Feb 5, 2024Updated 2 years ago
- Open-source C++ and Python module for opening binary timsTOF data files.☆48Updated this week