Ultra-fast and Accurate Spectrum Matching
☆36Jun 3, 2026Updated last month
Alternatives and similar repositories for FastEI
Users that are interested in FastEI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆27Jan 25, 2023Updated 3 years ago
- ☆16Nov 26, 2021Updated 4 years ago
- A known-to-unknown metabolite identification workflow☆22Sep 15, 2020Updated 5 years ago
- PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.☆23May 19, 2026Updated last month
- Predicting tandem mass spectra from molecules☆143Jun 14, 2026Updated 3 weeks ago
- 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.
- Python wrapper for SIMION ion simulation software☆17Jun 26, 2025Updated last year
- Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification☆18Jun 19, 2023Updated 3 years ago
- Mass Spectrometry for Small Molecules using Deep Learning☆137Jun 30, 2021Updated 5 years ago
- ☆28Nov 30, 2023Updated 2 years ago
- Deep-Learning-Based Multivariate Curve Resolution☆14Oct 14, 2021Updated 4 years ago
- Metabolome Annotation Workflow☆26Oct 31, 2025Updated 8 months ago
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆16Jun 1, 2023Updated 3 years ago
- ☆14May 9, 2024Updated 2 years ago
- The gmx_rrcs script is designed to calculate the residues-residues contact scores (rrcs) from a trajectory file generated by GROMACS.☆18Jun 16, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Computational analysis for mass spectrometry-based proteomics data☆11Apr 25, 2016Updated 10 years ago
- Compile Mass Spectral Libraries from Various Sources☆19May 3, 2024Updated 2 years ago
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆35Mar 21, 2024Updated 2 years ago
- ☆10Oct 23, 2024Updated last year
- OpenAPI based libraries for different programming languages like R and Python☆24Jun 10, 2026Updated 3 weeks ago
- ☆20Jul 12, 2023Updated 2 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Sep 21, 2024Updated last year
- Collection of tools for running MD, QM, and QM/MM calculations☆21Sep 27, 2025Updated 9 months ago
- Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)☆187Jun 5, 2026Updated last month
- 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.
- A repository for physico-chemical data extracted from the NIST Chemistry WebBook☆19May 20, 2026Updated last month
- a deep learning-based retention time alignment tool for large cohort LC-MS data analysis☆15Dec 6, 2023Updated 2 years ago
- Deep Boosted Molecular Dynamics☆13Aug 27, 2024Updated last year
- Tools Databases Resources in Metabolomics & Integrated Omics in 2015-2016☆12Mar 7, 2020Updated 6 years ago
- ☆17Jun 12, 2026Updated 3 weeks ago
- Component Identification with Raman Spectroscopy Made Easy☆20Jan 16, 2025Updated last year
- Docker for MetaboAnalyst 4.0☆25Nov 16, 2020Updated 5 years ago
- Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.☆259Jun 22, 2026Updated last week
- Tandem Mass Spectrum Prediction with Graph Transformers☆100Aug 26, 2024Updated 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.
- A fully automatic method based on Transformer for resolution of overlapping peaks in gas chromatography-mass spectrometry☆15Jan 15, 2025Updated last year
- Client-side REST access to KEGG☆15Jun 16, 2026Updated 2 weeks ago
- The embedded Python Molecular Viewer (ePMV) runs molecular modeling software directly inside of professional 3D animation applications (h…☆19Sep 12, 2019Updated 6 years ago
- The KEGGgraph package to parse KEGG pathways in R into graph objects☆16Apr 14, 2025Updated last year
- Unofficial Python tools for querying NIST Chemistry WebBook pages and extracting molecular-property records.☆58May 20, 2026Updated last month
- ☆10Jun 20, 2024Updated 2 years ago
- PFAScreen is an open-source Python based non-target screening software tool to prioritize potential PFAS features in raw data from LC- o…☆17Apr 9, 2026Updated 2 months ago