This is the code associated to the paper about the MultiModalSpectralTransformer, capable of predicting molecules from spectral data (1H, 13C, HSQC, COSY, IR).
☆16Oct 7, 2025Updated 9 months ago
Alternatives and similar repositories for MultiModalSpectralTransformer
Users that are interested in MultiModalSpectralTransformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Feb 27, 2026Updated 4 months ago
- Predicting molecular structure from multimodal spectroscopic data☆29Jun 19, 2026Updated last month
- ☆30Jun 5, 2026Updated last month
- Deep cross-model between MS/MS spectra and structures for unknown metabolite identification☆15Dec 11, 2025Updated 7 months ago
- This repo contains demonstrations of an extensible Crystal Structure Type Recognition Network (CSTRNet), which consists of a variable num…☆14May 21, 2024Updated 2 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.
- p-IgGen: A Generative Paired Antibody Language Model☆13May 6, 2025Updated last year
- ☆12Oct 9, 2024Updated last year
- ☆16Apr 7, 2026Updated 3 months ago
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆14Sep 27, 2024Updated last year
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR and IR.☆31Jul 5, 2026Updated 2 weeks ago
- The official source code for [2026 ICLR] "IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra"☆18Feb 25, 2026Updated 4 months ago
- Component Identification with Raman Spectroscopy Made Easy☆20Jan 16, 2025Updated last year
- R Package for Systematic Optimization of Metabolomic Data Processing☆17Apr 4, 2025Updated last year
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆14Apr 23, 2024Updated 2 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.
- ☆22May 30, 2025Updated last year
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆56Jun 23, 2025Updated last year
- ☆15Jul 13, 2025Updated last year
- ☆28Jan 9, 2024Updated 2 years ago
- Codebase for NaFM: Pre-training a Foundation Model for Small-Molecule Natural Products☆27May 10, 2026Updated 2 months ago
- [TCSVT2023] - ESA: External Space Attention Aggregation for Image-Text Retrieval☆23Aug 30, 2024Updated last year
- A machine learning model based on gradient boosting decision tree for predicting heavy metal adsorption in soil.☆18Nov 6, 2021Updated 4 years ago
- ☆36Jul 13, 2026Updated last week
- ☆26Mar 20, 2026Updated 4 months ago
- 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.
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- Automatic materials characterization of infrared spectra using convolutional neural networks☆16Aug 28, 2023Updated 2 years ago
- A Model Enabling the Converting from Multi-dimensional NMR Quantum Representations into Structures☆17Jun 17, 2025Updated last year
- ☆15Jun 3, 2021Updated 5 years ago
- Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods☆39Apr 15, 2026Updated 3 months ago
- Convert AEDAT4 files from DV into AEDAT-2.0 files for jAER☆10Feb 23, 2024Updated 2 years ago
- ☆15Dec 18, 2023Updated 2 years ago
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 2 years ago
- ☆13May 21, 2024Updated 2 years 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.
- NMR structure elucidation☆24Jun 16, 2025Updated last year
- Prediction molecular structure from NMR spectra☆48Mar 19, 2024Updated 2 years ago
- ☆15May 29, 2024Updated 2 years ago
- Pocket dynamics analysis tool☆18Apr 24, 2026Updated 2 months ago
- Tools to train synthesis prediction models☆30Feb 11, 2026Updated 5 months ago
- Ultra-fast and Accurate Spectrum Matching☆36Jun 3, 2026Updated last month
- Provides easy access to Thermo Discoverer platform results☆20Apr 22, 2026Updated 2 months ago