A Python wrapper for te spectroscopy program PGopher
☆14Oct 19, 2023Updated 2 years ago
Alternatives and similar repositories for PyGOPHER
Users that are interested in PyGOPHER are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Routines for rotational spectroscopy analysis written in Python 3☆34Jul 28, 2024Updated 2 years ago
- ☆10Feb 25, 2026Updated 6 months ago
- ☆16Jul 6, 2023Updated 3 years ago
- ☆21Sep 11, 2026Updated last week
- The files used for the introductory python for chemistry worshop☆10Sep 23, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Climate Data Operators + Packaging branches☆14Apr 4, 2015Updated 11 years ago
- Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…☆16May 16, 2025Updated last year
- Open source electrochemistry simulator of typical techniques (CV, CA) and GUI.☆25Nov 2, 2022Updated 3 years ago
- Volume integral equation solver for electromagnetic scattering simulations☆16Apr 16, 2019Updated 7 years ago
- GPU-accelerated coupled cluster with density fitting☆19Jun 26, 2018Updated 8 years ago
- Containerized versions of ESCOMP software (eg, CESM)☆15Aug 19, 2022Updated 4 years ago
- Theoretical ROVibrational Energies: A variational program for accurate nuclear motion calculations☆21Sep 7, 2026Updated 2 weeks ago
- Selection language for RDKit☆17Mar 20, 2026Updated 6 months ago
- Documentation and development website for Avogadro2☆17Updated this week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆16Updated this week
- ⛔️ Deprecated: Create an examples gallery with sphinx from Jupyter Notebooks☆15Jun 28, 2021Updated 5 years ago
- Radiative properties of gaseous species and soot☆16Mar 25, 2026Updated 5 months ago
- Python Radiative Transfer Emission Code☆13Sep 27, 2023Updated 2 years ago
- Modern Fortran syntax highlighting for Sublime Text 3/4☆13Jan 23, 2022Updated 4 years ago
- pytest plugin to facilitate comparison of results to a pre-defined reference☆27Sep 2, 2026Updated 3 weeks ago
- Helping out with optical emission spectroscopy of low-temperature plasmas.☆15Aug 24, 2026Updated 3 weeks ago
- Machine learning fitting for Electron Energy Loss Spectroscopy☆13Feb 18, 2025Updated last year
- Direct simulation Monte Carlo ThunderBoltz C++ and Python API codes.☆18May 24, 2026Updated 3 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- This repository contains the "superproject" wrapper for the "Classic" configuration of the GEOS-Chem model of atmospheric chemistry and c…☆30Updated this week
- An interactive astronomical 1D spectra analysis tool.☆44Jul 21, 2021Updated 5 years ago
- A thermal rate constant calculator and kinetics Monte Carlo Simulator☆19Apr 12, 2024Updated 2 years ago
- An application to visualize scholar articles as an interactive graph☆21Mar 4, 2023Updated 3 years ago
- Python-based Fermi-Löwdin orbital self-interaction-correction☆23Oct 7, 2022Updated 3 years ago
- ☆19Nov 4, 2024Updated last year
- FOSS Resources for Spectroscopy☆21Nov 25, 2025Updated 9 months ago
- ☆21Feb 1, 2025Updated last year
- ☆29Jul 10, 2026Updated 2 months ago
- 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.
- Fortran 2003 code to generate molecular spectra, partition functions, lifetimes, cooling functions etc using ExoMol line lists☆14Updated this week
- Jupyter Notebooks for Learning CS Foundational Concepts using C++☆34Updated this week
- Tools to facilitate input generation and analysis of FCclasses (see http://www.iccom.cnr.it/en/fcclasses)☆22Jun 19, 2026Updated 3 months ago
- Example repo for uploading reports to Codecov☆22May 22, 2026Updated 4 months ago
- Some C++ code for basic Molecular Dynamics simulations.☆12Sep 12, 2018Updated 8 years ago
- ☆15Aug 18, 2025Updated last year
- Workshop on Graphical User Interfaces for Research Software☆17Jul 27, 2022Updated 4 years ago