✨✨ Latest Advances on AI for Spectra Data Analysis (SpectraAI)
☆25Nov 24, 2025Updated 7 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…☆19Dec 11, 2025Updated 7 months ago
- [NeurIPS 2024] "NovoBench: Benchmarking Deep Learning-based \emph{De Novo} Sequencing Methods in Proteomics"☆14Nov 23, 2024Updated last year
- 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
- Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)☆192Jun 5, 2026Updated last month
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A python package for the prediction of chemical shieldings of organic solids and beyond.☆22Mar 30, 2026Updated 3 months ago
- ☆22May 30, 2025Updated last year
- Antibody Mass Spectrometry De Novo Benchmark☆19Sep 29, 2025Updated 9 months ago
- ☆117Mar 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
- Predicting molecular structure from multimodal spectroscopic data☆29Jun 19, 2026Updated last month
- NMR structure elucidation☆24Jun 16, 2025Updated last year
- A novel molecular representation framework via meta structures☆18Nov 25, 2025Updated 7 months 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.
- ☆10Feb 22, 2023Updated 3 years ago
- Python package for processing NMR Spectra☆11Jun 23, 2021Updated 5 years ago
- Code and data for Cell-o1.☆28Updated this week
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆20Jan 2, 2026Updated 6 months ago
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆144May 8, 2026Updated 2 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
- Official Code of Paper: MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization☆17Apr 13, 2026Updated 3 months ago
- Collection of peptide de novo sequencing algorithms by BEAM labs☆31May 24, 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 pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy.☆34Nov 13, 2025Updated 8 months ago
- Mol-Opt: a toolbox for molecular design☆24Apr 15, 2024Updated 2 years ago
- Efficiently predicting high resolution mass spectra with graph neural networks☆32Aug 3, 2023Updated 2 years ago
- ☆16Dec 2, 2025Updated 7 months ago
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆81Jun 5, 2024Updated 2 years ago
- ☆63Mar 23, 2026Updated 3 months ago
- Official release of OneGenome-Rice models.☆23Jun 16, 2026Updated last month
- ☆36Feb 18, 2025Updated last year
- UniGraph2: Learning a Unified Embedding Space to Bind Multimodal Graphs (WWW'25)☆18Apr 22, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆40Dec 16, 2022Updated 3 years ago
- Predicting tandem mass spectra from molecules☆145Jul 9, 2026Updated last week
- ☆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
- RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning☆23Nov 22, 2025Updated 7 months ago
- coming soon☆28May 9, 2023Updated 3 years ago