DOSY processing
☆11Mar 11, 2022Updated 4 years ago
Alternatives and similar repositories for DOSY_Net
Users that are interested in DOSY_Net are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Codes for Complex-Valued Spectrum Estimation Network and Applications in Super-Resolution HRRPs Analysis with Wideband Radars☆12Dec 10, 2021Updated 4 years ago
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Updated this week
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 4 years ago
- GAMMA C++ and PyGAMMA wrapped code packages☆12Sep 8, 2025Updated last year
- ☆12Jul 28, 2022Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- 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
- A python module to parse data out of ORCA output files☆10Aug 24, 2026Updated 2 months ago
- automated collection and processing of molecular properties from Gaussian jobs☆12Apr 4, 2026Updated 6 months ago
- ☆10Jun 20, 2024Updated 2 years ago
- ☆23May 30, 2025Updated last year
- Distortion correction for MRI data acquired with strong B0 inhomogeneities, such as in permanent magnet low field MRI.☆10Mar 3, 2022Updated 4 years ago
- ANN based NMR peak picker☆23Jul 13, 2026Updated 3 months ago
- ☆34Jan 7, 2024Updated 2 years ago
- Numerical inversion package for time-domain Nuclear Magnetic Resonance (NMR) relaxation and diffusion experiments. Click on the link bel…☆13Oct 16, 2026Updated last week
- 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.
- metallocage construction and binding affinity calculations☆18May 30, 2023Updated 3 years ago
- Demonstration of drawing molecular diagrams with Three.js☆10Dec 4, 2023Updated 2 years ago
- Python On Resonance (PyOR), a versatile NMR simulator☆14Oct 6, 2026Updated 3 weeks ago
- SC21_DP_Tutorial☆10Nov 15, 2021Updated 4 years ago
- Physics-informed neural networks for magnetic resonance elastography☆15Sep 22, 2023Updated 3 years ago
- Python code for Hückel and Pariser-Parr-Pople molecular orbital theory☆15Aug 28, 2023Updated 3 years ago
- Storytelling With Matplotlib (SWMat)☆13Jul 25, 2019Updated 7 years ago
- General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations☆11Dec 22, 2021Updated 4 years ago
- Python bindings for libcommute☆12Sep 5, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Repository for the tmQMg dataset files and analysis scripts.☆18Nov 6, 2025Updated 11 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
- Pytorch implementation of a message passing neural network with RNN sub-units☆14Jul 25, 2024Updated 2 years ago
- QM/MM Study Group☆15Jan 22, 2019Updated 7 years ago
- JSME Molecule Editor ipywidget for jupyter notebook☆13Jul 5, 2025Updated last year
- Mobile NMR Relaxometry Platform☆12May 4, 2023Updated 3 years ago
- Python workflow for DP5 and DP4 analysis of organic molecules☆203Dec 1, 2023Updated 2 years ago
- This is a minimal example for deploying a Panel app on Heroku.☆10Nov 14, 2020Updated 5 years ago
- Python 3 script for overlaying or superimposing two or more molecules. The overlayed / superimposed molecules can be displayed and the m…☆12May 3, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A list of resources related to Independent Component Analysis☆10Feb 20, 2020Updated 6 years ago
- Deep Neural Networks for Analysing NMR time domain data☆14Aug 4, 2026Updated 2 months ago
- React components integrating OpenChemLib☆15Jul 10, 2026Updated 3 months ago
- nmrML is an open mark-up language for NMR data. This is the official repository for development of the nmrML schema and NMR ontology.☆33Mar 27, 2025Updated last year
- Code of the paper "Beyond calibration: estimating the grouping loss of modern neural networks" published in ICLR 2023.☆12Nov 21, 2023Updated 2 years ago
- Automated spectraL Processing System for NMR☆17Aug 26, 2026Updated 2 months ago
- Python scripts to perform electrochemistry simulations.☆15Nov 20, 2025Updated 11 months ago