✨✨ Latest Advances on AI for Spectra Data Analysis (SpectraAI)
☆25Nov 24, 2025Updated 8 months ago
Alternatives and similar repositories for Awesome-SpectraAI-Resources
Users that are interested in Awesome-SpectraAI-Resources are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official implementation of the paper ChefNMR: "Atomic Diffusion Models for Small Molecule Structure Elucidation from NMR Spectra" (NeurIP…☆23Dec 11, 2025Updated 7 months ago
- [NeurIPS 2024] "NovoBench: Benchmarking Deep Learning-based \emph{De Novo} Sequencing Methods in Proteomics"☆14Nov 23, 2024Updated last year
- Deep cross-model between MS/MS spectra and structures for unknown metabolite identification☆15Dec 11, 2025Updated 7 months ago
- Predicting molecular structure from Infrared (IR) Spectra☆31Jun 6, 2024Updated 2 years ago
- A repository for physico-chemical data extracted from the NIST Chemistry WebBook☆19May 20, 2026Updated 2 months 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.
- Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)☆198Jun 5, 2026Updated 2 months ago
- A python package for the prediction of chemical shieldings of organic solids and beyond.☆22Mar 30, 2026Updated 4 months ago
- ☆23May 30, 2025Updated last year
- Antibody Mass Spectrometry De Novo Benchmark☆20Sep 29, 2025Updated 10 months ago
- GPU-Accelerated Cosine Similarity for Tandem Mass Spectrometry☆18Nov 4, 2025Updated 9 months ago
- ☆120Mar 10, 2026Updated 4 months ago
- Paper collection about de novo peptide Sequening☆24Feb 5, 2025Updated last year
- Prediction molecular structure from NMR spectra☆48Mar 19, 2024Updated 2 years ago
- NMR structure elucidation☆27Jun 16, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- AI for Chemical Spectra☆18Updated this week
- ☆10Feb 22, 2023Updated 3 years ago
- Python package for processing NMR Spectra☆11Jun 23, 2021Updated 5 years ago
- Code and data for Cell-o1.☆29Jul 22, 2026Updated 2 weeks ago
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆20Jan 2, 2026Updated 7 months ago
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆146May 8, 2026Updated 3 months ago
- A novel molecular representation framework via meta structures☆18Nov 25, 2025Updated 8 months ago
- 3 DOF arm robot simulation with ROS2 and gazebo☆13Sep 29, 2022Updated 3 years ago
- Spatial Spectral Machine Learning☆14Oct 15, 2025Updated 9 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Collection of peptide de novo sequencing algorithms by BEAM labs☆31May 24, 2026Updated 2 months ago
- Official Code of Paper: MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization☆17Apr 13, 2026Updated 3 months ago
- A pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy.☆34Updated this week
- Efficiently predicting high resolution mass spectra with graph neural networks☆32Aug 3, 2023Updated 3 years ago
- Mol-Opt: a toolbox for molecular design☆23Apr 15, 2024Updated 2 years ago
- ☆17Dec 2, 2025Updated 8 months ago
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆81Jun 5, 2024Updated 2 years ago
- ☆63Mar 23, 2026Updated 4 months ago
- Official release of OneGenome-Rice models.☆25Jun 16, 2026Updated last month
- 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.
- ☆35Feb 18, 2025Updated last year
- Predicting tandem mass spectra from molecules☆147Jul 9, 2026Updated last month
- [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"☆20Apr 19, 2025Updated last year
- ☆40Dec 16, 2022Updated 3 years ago
- ☆22Mar 26, 2025Updated last year
- Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods☆39Apr 15, 2026Updated 3 months ago
- A versatile single-cell cross-modality translation method via dual-aligned variational autoencoders☆28Jul 1, 2024Updated 2 years ago