☆12Jul 28, 2022Updated 4 years ago
Alternatives and similar repositories for CMGNet
Users that are interested in CMGNet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Updated this week
- A framework that predicts the molecular structure when given Infrared and 13C Nuclear magnetic resonance spectra without referring to any…☆10Jan 17, 2024Updated 2 years ago
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 4 years ago
- Cross-model Retrieval between 13C NMR Spectrum and Structure☆19Sep 18, 2021Updated 5 years ago
- General Python utilities commonly used in the RXN universe☆11Feb 13, 2024Updated 2 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION☆23Sep 23, 2025Updated last year
- ☆13Jul 13, 2019Updated 7 years ago
- 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 3 years ago
- ☆13Nov 5, 2020Updated 5 years ago
- A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data☆26Jan 21, 2024Updated 2 years ago
- ☆31Jun 23, 2023Updated 3 years ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR, IR and MS.☆36Aug 26, 2026Updated 2 months ago
- DOSY processing☆11Mar 11, 2022Updated 4 years ago
- Algorithms & Data Structures Course. MIPT.☆10Mar 24, 2026Updated 7 months 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.
- ☆16Jan 2, 2024Updated 2 years ago
- ☆67Mar 23, 2026Updated 7 months ago
- POKY ain't poky! POKY is a next generation software suite for the integrated and automated NMR data analysis and structure calculation.☆11Sep 24, 2026Updated last month
- JSME Molecule Editor ipywidget for jupyter notebook☆13Jul 5, 2025Updated last year
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆36Mar 21, 2024Updated 2 years ago
- ☆17May 25, 2025Updated last year
- GAMMA C++ and PyGAMMA wrapped code packages☆12Sep 8, 2025Updated last year
- ☆15Jul 18, 2023Updated 3 years ago
- Tools for analysis of Mass Spectrometry data using the Wasserstein metric☆19Jul 14, 2026Updated 3 months 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.
- Recursive wavelet peak detection and deconvolution☆19Dec 17, 2019Updated 6 years ago
- R functions for automation of biomarker discovery based on processing downstream of large LC-MS datasets from any peak picking software☆10May 17, 2017Updated 9 years ago
- ☆11Oct 21, 2026Updated last week
- CAlculation of NMR Chemical Shifts using Deep LEarning☆72Mar 27, 2023Updated 3 years ago
- User interface to reanalyze and explore all public data in Metabolomics Public Data☆12Oct 18, 2023Updated 3 years ago
- ☆11Apr 10, 2022Updated 4 years ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Sep 9, 2025Updated last year
- ☆33Sep 8, 2026Updated last month
- ☆10Jun 8, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Source code of AllCCS. Prediction function was provided in AllCCS web server (http://allccs.zhulab.cn/).☆10Mar 1, 2022Updated 4 years ago
- Convert SMILES (chemical structure) to one-hot matrix.☆10Jan 27, 2021Updated 5 years ago
- ☆23May 30, 2025Updated last year
- ☆36Feb 18, 2025Updated last year
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 4 years ago
- ☆13Jun 9, 2021Updated 5 years ago
- Collisional cross-section prediction for modified and multiconformational peptides☆14Aug 26, 2026Updated 2 months ago