☆65Mar 23, 2026Updated 6 months ago
Alternatives and similar repositories for NMRNet
Users that are interested in NMRNet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆33Sep 8, 2026Updated last month
- NMR structure elucidation☆29Jun 16, 2025Updated last year
- ☆12Jul 28, 2022Updated 4 years ago
- React components integrating OpenChemLib☆15Jul 10, 2026Updated 3 months ago
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆15Sep 27, 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.
- Official implementation of the paper ChefNMR: "Atomic Diffusion Models for Small Molecule Structure Elucidation from NMR Spectra" (NeurIP…☆25Dec 11, 2025Updated 9 months ago
- Official Release of NeurIPS 2024 paper "Slot State Space Models"☆11Mar 22, 2025Updated last year
- TED-GEN: a universal, efficient image generation framework for electron microscopy☆11May 7, 2025Updated last year
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 4 years ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆58Jun 23, 2025Updated last year
- ☆23May 30, 2025Updated last year
- Prediction molecular structure from NMR spectra☆49Mar 19, 2024Updated 2 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated last year
- [Nature npj Computational Materials] This is the official code for the paper “Virtual Characterization via Knowledge-Enhanced Representat…☆16Aug 17, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Official Code of Paper: MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization☆17Apr 13, 2026Updated 5 months ago
- ☆17May 25, 2025Updated last year
- A PyTorch implementation of Uni-Mol3.☆24Mar 24, 2026Updated 6 months ago
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆46Aug 28, 2025Updated last year
- This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accur…☆25Oct 3, 2024Updated 2 years ago
- Open-source AI infrastructure for materials science☆125Sep 4, 2026Updated last month
- Deep cross-model between MS/MS spectra and structures for unknown metabolite identification☆15Dec 11, 2025Updated 9 months ago
- unimol_tools: a easy-use & auto-ml molecule property prediction tool☆35Jul 16, 2026Updated 2 months ago
- Predicting molecular structure from multimodal spectroscopic data☆31Sep 28, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Generic Machine Learning Potential for Accelerating Transition State Search in Organic Synthesis.☆18Mar 29, 2026Updated 6 months ago
- AI for Chemical Spectra☆19Oct 2, 2026Updated last week
- Implementation of paper "Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens"☆156Apr 21, 2025Updated last year
- A collection of workflows that are built with DFlow.☆11May 13, 2024Updated 2 years ago
- Awesome list about AI4Polymer☆23Aug 19, 2026Updated last month
- Token-Mol 1.0：tokenized drug design with large language model☆67Jun 1, 2026Updated 4 months ago
- ☆22Jan 6, 2025Updated last year
- React component to display and process nuclear magnetic resonance (NMR) spectra.☆81Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction☆53Jan 12, 2025Updated last year
- ☆12Feb 5, 2024Updated 2 years ago
- ☆18Sep 4, 2022Updated 4 years ago
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆17Sep 25, 2026Updated 2 weeks ago
- DOSY processing☆11Mar 11, 2022Updated 4 years ago
- Python code for mechanistic dataset generation☆24Aug 19, 2025Updated last year
- eXtended Equivairant Graph Neural Network☆17Jul 23, 2025Updated last year