☆24Dec 1, 2019Updated 6 years ago
Alternatives and similar repositories for simpson
Users that are interested in simpson are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A fast solid-state NMR spectrum simulation and analysis library.☆47Updated this week
- BMRB data visualization tools using python Plotly☆15Aug 21, 2025Updated last year
- A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format☆38Feb 24, 2026Updated 6 months ago
- GAMMA C++ and PyGAMMA wrapped code packages☆12Sep 8, 2025Updated last year
- Interactive NMR peak deconvolution☆20Sep 17, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 4 years ago
- Deep Neural Networks for Analysing NMR time domain data☆14Aug 4, 2026Updated last month
- A module for working with NMR data in Python☆275Aug 16, 2026Updated last month
- This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2…☆16May 26, 2026Updated 3 months ago
- An introduction to git and version control, initially written for the Part II Computational Physics course at the Cavendish Laboratory.☆10Aug 15, 2025Updated last year
- A Python library for NMR simulation☆29Aug 17, 2026Updated last month
- ANN based NMR peak picker☆23Jul 13, 2026Updated 2 months ago
- Analysis pipeline for RNA structural probing mutational profiling data sequenced on Nanopore devices☆11Feb 10, 2024Updated 2 years ago
- A package for quantum-classical modeling.☆16Aug 5, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A simple library for handling NMR data in Julia☆15Sep 2, 2026Updated 2 weeks ago
- DOSY processing☆11Mar 11, 2022Updated 4 years ago
- A Python module for reading, writing, and manipulating NMR-STAR files.☆30Sep 10, 2026Updated last week
- Open Quantum System Theory for Molecular Systems☆28Updated this week
- Quantum simulations of nonlinear spectroscopy and dynamics for molecular aggregates☆18Nov 13, 2021Updated 4 years ago
- A Python module for processing NMR spectra.☆41Aug 29, 2026Updated 3 weeks ago
- Python package for efficient analysis of HILLS files generated by Plumed metadynamics simulations. Inspired by the Metadynminer package f…☆22Feb 2, 2026Updated 7 months ago
- Very flexible tools for plotting and analyzing all kinds of RNA structure data☆16Jul 31, 2026Updated last month
- Python Bloch-McConnell (BMC) simulation tool☆24Sep 10, 2026Updated last week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Small angle scattering tools ... but unlike most others, free.☆12Sep 11, 2026Updated last week
- Storytelling With Matplotlib (SWMat)☆13Jul 25, 2019Updated 7 years ago
- A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.☆14May 29, 2020Updated 6 years ago
- JSME Molecule Editor ipywidget for jupyter notebook☆13Jul 5, 2025Updated last year
- Python package for processing NMR Spectra☆11Jun 23, 2021Updated 5 years ago
- Python bindings for libcommute☆12Sep 5, 2026Updated 2 weeks ago
- React components integrating OpenChemLib☆15Jul 10, 2026Updated 2 months ago
- A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.☆12Apr 17, 2020Updated 6 years ago
- Mobile NMR Relaxometry Platform☆12May 4, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This is a minimal example for deploying a Panel app on Heroku.☆10Nov 14, 2020Updated 5 years ago
- Graph neural network for predicting NMR chemical shifts☆55May 6, 2022Updated 4 years ago
- ☆12Jul 28, 2022Updated 4 years ago
- Pytorch implementation of a message passing neural network with RNN sub-units☆14Jul 25, 2024Updated 2 years ago
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- ☆15Jul 18, 2023Updated 3 years ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆14May 6, 2025Updated last year