Official implementation of the paper ChefNMR: "Atomic Diffusion Models for Small Molecule Structure Elucidation from NMR Spectra" (NeurIPS 2025).
☆24Dec 11, 2025Updated 8 months ago
Alternatives and similar repositories for chefnmr
Users that are interested in chefnmr are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Framework for Raman spectroscopy analysis☆19May 19, 2024Updated 2 years ago
- ☆64Mar 23, 2026Updated 5 months ago
- ☆62Apr 7, 2026Updated 4 months ago
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆15Sep 27, 2024Updated last year
- ☆31Jul 21, 2026Updated last month
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A python package for the prediction of chemical shieldings of organic solids and beyond.☆22Aug 24, 2026Updated last week
- [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"☆20Apr 19, 2025Updated last year
- Deep cross-model between MS/MS spectra and structures for unknown metabolite identification☆15Dec 11, 2025Updated 8 months ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR, IR and MS.☆35Updated this week
- Protein design with infilling language models and reinforcement learning — for antibodies and beyond.☆16Nov 25, 2025Updated 9 months ago
- AI for Chemical Spectra☆18Updated this week
- Official Release of NeurIPS 2024 paper "Slot State Space Models"☆11Mar 22, 2025Updated last year
- 基于Spring Boot和React.js的在线评测（OJ）系统☆13Apr 14, 2025Updated last year
- Generator useful to handle Raman spectra data augmentation for deep learning models☆29Aug 21, 2023Updated 3 years 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.
- ChemClaw — The first chemistry-native AI agent skill library.☆52Mar 31, 2026Updated 5 months ago
- ☆19Sep 4, 2025Updated 11 months ago
- Official Code of Paper: MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization☆17Apr 13, 2026Updated 4 months ago
- Repo for our work "Systematic Evaluation of Large Vision-Language Models for Surgical Artificial Intelligence"☆20Jun 2, 2025Updated last year
- Mol-Opt: a toolbox for molecular design☆23Apr 15, 2024Updated 2 years ago
- Downscaling Intelligence: Exploring Perception and Reasoning Bottlenecks in Small Multimodal Models☆25Mar 21, 2026Updated 5 months ago
- Official release of OneGenome-Rice models.☆26Jun 16, 2026Updated 2 months ago
- ☆23May 2, 2025Updated last year
- ☆19Dec 16, 2024Updated last year
- 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.
- ChemBERTa-3 Repo☆75Jul 23, 2026Updated last month
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆56Jul 22, 2025Updated last year
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- ☆17Mar 30, 2026Updated 5 months ago
- The official repo for the paper "RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Lear…☆23Updated this week
- ☆19Oct 26, 2024Updated last year
- ☆23May 30, 2025Updated last year
- ☆41Sep 9, 2025Updated 11 months ago
- ☆23Mar 11, 2023Updated 3 years 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.
- 【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction☆51Jan 12, 2025Updated last year
- [ACM MM2024] Digging into contrastive learning for robust depth estimation with diffusion models☆21Jul 22, 2025Updated last year
- SciCount is tool focused on counting and classifying of objects in image-like data and scientific images, with training and example datas…☆11Oct 24, 2023Updated 2 years ago
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆24Jun 10, 2024Updated 2 years ago
- This repository includes pKa data obtained from measurements in aqueous solutions, digitized and curated from reference books published b…☆96Jul 24, 2026Updated last month
- [CVPR 2025] Custom Open CLIP repo to train biomedical CLIP models☆38Mar 23, 2025Updated last year
- Screen interactions with AlphaFold Multimer☆15Mar 10, 2025Updated last year