☆32Sep 8, 2026Updated last week
Alternatives and similar repositories for NMR-Solver
Users that are interested in NMR-Solver are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆23May 30, 2025Updated last year
- ☆65Mar 23, 2026Updated 5 months ago
- This is the code associated to the paper about the MultiModalSpectralTransformer, capable of predicting molecules from spectral data (1H,…☆17Oct 7, 2025Updated 11 months ago
- NMR structure elucidation☆28Jun 16, 2025Updated last year
- Mol-Opt: a toolbox for molecular design☆24Apr 15, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Chemprop benchmarking scripts and data for v1☆34Jun 4, 2024Updated 2 years ago
- Prediction molecular structure from NMR spectra☆49Mar 19, 2024Updated 2 years ago
- ☆12Jul 28, 2022Updated 4 years ago
- ☆21Jan 6, 2025Updated last year
- Official implementation of the paper ChefNMR: "Atomic Diffusion Models for Small Molecule Structure Elucidation from NMR Spectra" (NeurIP…☆25Dec 11, 2025Updated 9 months ago
- Open-source Deep Learning Framework for Allosteric Pocket Prediction☆17Jul 31, 2026Updated last month
- DOSY processing☆11Mar 11, 2022Updated 4 years ago
- Python workflow for DP5 and DP4 analysis of organic molecules☆203Dec 1, 2023Updated 2 years ago
- Fine-tuning DeepSeek-OCR-2 for Optical Chemical Structure Recognition, including LoRA SFT, full SFT, customized GSPO and ReFT.☆21Jul 5, 2026Updated 2 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- TED-GEN: a universal, efficient image generation framework for electron microscopy☆11May 7, 2025Updated last year
- Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm☆81Jul 17, 2023Updated 3 years ago
- React components integrating OpenChemLib☆15Jul 10, 2026Updated 2 months ago
- ☆11May 25, 2026Updated 3 months ago
- App for serotonergic targets☆12Jan 8, 2026Updated 8 months ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR, IR and MS.☆35Aug 26, 2026Updated 3 weeks ago
- ☆12Oct 9, 2024Updated last year
- ☆16Apr 7, 2026Updated 5 months ago
- ✨✨ Latest Advances on AI for Spectra Data Analysis (SpectraAI)☆28Nov 24, 2025Updated 9 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.
- A pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy.☆38Aug 8, 2026Updated last month
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆18Sep 29, 2023Updated 2 years ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆57Jun 23, 2025Updated last year
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Updated this week
- ☆23Dec 11, 2024Updated last year
- ☆13Nov 5, 2020Updated 5 years ago
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 4 years ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆21Jun 9, 2024Updated 2 years ago
- GAMMA C++ and PyGAMMA wrapped code packages☆12Sep 8, 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.
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆21Jan 2, 2026Updated 8 months ago
- nmrXiv is currently developed as the FAIR, consensus-driven NMR data repository and computational platform. The ultimate goal is to accel…☆22Updated this week
- Code for “Enhancing Diffusion-Based Sampling with Molecular Collective Variables"☆25Dec 17, 2025Updated 9 months ago
- Generator of SMILES string from bigSMILES with extension☆36May 15, 2025Updated last year
- Data and code required to reach the main conclusions of the fastsmcg paper☆11Sep 19, 2023Updated 3 years ago
- ☆27Mar 20, 2026Updated 5 months ago
- ☆13Jun 9, 2021Updated 5 years ago