A novel molecular representation framework via meta structures
☆20Nov 25, 2025Updated 10 months ago
Alternatives and similar repositories for MSformer
Users that are interested in MSformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This package is a python warpper for CFM-ID☆13Aug 26, 2022Updated 4 years ago
- 🤖 MetaboT 🍵 is an AI system that accelerates mass spectrometry-(MS) based metabolomics knowledge graph mining☆35May 7, 2026Updated 5 months ago
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆25Aug 14, 2026Updated last month
- DeepMASS2 is a cross-platform GUI software tool, which enables deep-learning based metabolite annotation via semantic similarity analysis…☆16Jan 22, 2026Updated 8 months ago
- ☆13Jan 16, 2025Updated last year
- 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.
- Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…☆56Apr 28, 2026Updated 5 months ago
- ☆24Sep 18, 2025Updated last year
- Using MASST or fastMASST, adding metadata onto a tree ontology for microbes☆28Aug 14, 2026Updated last month
- Predicting MS1 precursor chemical formula from MS/MS data☆28Sep 20, 2023Updated 3 years ago
- A "fairly fast" ISOtope PAttern Calculator for Python☆13Sep 27, 2023Updated 3 years ago
- C++/Python Library for Systematic Chemical Space Exploration☆25Dec 21, 2021Updated 4 years ago
- Python tool for generate fingerprints of a molecule☆86Jun 27, 2025Updated last year
- ☆18Aug 5, 2023Updated 3 years ago
- ☆14Jun 25, 2022Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆37Jul 13, 2026Updated 2 months ago
- [NeurIPS 2024] "NovoBench: Benchmarking Deep Learning-based \emph{De Novo} Sequencing Methods in Proteomics"☆15Nov 23, 2024Updated last year
- A python client for the ClassyFire API☆17May 7, 2020Updated 6 years ago
- a python package for molecular formula analysis in MS-based small molecule studies☆41Aug 27, 2026Updated last month
- ☆24Mar 26, 2025Updated last year
- Clustering and visualization of billions of molecules (or other high-dimensional data). 1 billion, 100K clusters, less than 3 hours, one …☆23Sep 5, 2026Updated last month
- LLM-generated CHEBI classifiers☆14Aug 23, 2025Updated last year
- ☆11Apr 25, 2026Updated 5 months ago
- PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the l…☆16Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- R Package for Systematic Optimization of Metabolomic Data Processing☆17Apr 4, 2025Updated last year
- ☆18Feb 13, 2023Updated 3 years ago
- Official repository for multitask deep learning models.☆19Jun 12, 2026Updated 3 months ago
- PyLipidParse is a lightweight Python library for converting standard lipid notation into RDKit and SMILES representations.☆21Apr 9, 2026Updated 6 months ago
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆11May 16, 2023Updated 3 years ago
- Obtain and organize all feasible fragmentation of molecular methods☆38Aug 4, 2023Updated 3 years ago
- ☆15Aug 15, 2026Updated last month
- ☆14May 15, 2024Updated 2 years ago
- A computational method to rank and infer drug-responsive cell population towards in-silico drug perturbation using a target-perturbed gen…☆77Oct 16, 2025Updated 11 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆34Mar 11, 2023Updated 3 years ago
- NP classifier using torch and lightning☆23Jun 1, 2026Updated 4 months ago
- A fragment-based molecular assembly toolkit☆53Aug 17, 2026Updated last month
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆24Aug 12, 2026Updated last month
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆24Sep 1, 2025Updated last year
- Predicting tandem mass spectra from molecules☆166Updated this week
- Paper collection about de novo peptide Sequening☆24Feb 5, 2025Updated last year