Python library to determine the point group of molecular geometries
☆14May 22, 2025Updated 10 months ago
Alternatives and similar repositories for pointgroup
Users that are interested in pointgroup are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Point symmetry analysis tool for theoretical chemistry objects☆22Apr 7, 2026Updated last week
- GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"☆12Jul 25, 2024Updated last year
- LaTeX/Tikz package. It provides several commands in order to draw atomic orbitals and molecular orbitals diagrams.☆15Nov 24, 2015Updated 10 years ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆19Apr 27, 2024Updated last year
- O-3PO - Open-source Open-access Overlay Publishing Option☆10Dec 30, 2025Updated 3 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆13Jun 9, 2021Updated 4 years ago
- A python package to calculate linear solvent strength parameters in Liquid Chromatography☆12Mar 2, 2022Updated 4 years ago
- Machine Learned Interatomic Potential Tools☆24Apr 6, 2026Updated last week
- Mindless molecule generator in a Python package.☆41Jan 22, 2026Updated 2 months ago
- ☆14Mar 18, 2025Updated last year
- ☆20Feb 13, 2026Updated 2 months ago
- Python code accompanying the academic paper on the prediction of the SFT-log(c) profile for surfactants in water☆12Feb 8, 2022Updated 4 years ago
- Python interface for Q-Chem☆24Apr 7, 2026Updated last week
- Grid Generation☆11Mar 7, 2024Updated 2 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.
- A Python utility for the processing and quantification of chromatography data☆66Oct 29, 2025Updated 5 months ago
- ☆17Updated this week
- Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations☆54Apr 30, 2025Updated 11 months ago
- LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals☆42Sep 22, 2025Updated 6 months ago
- This project contains 12 codes for computing the Navier Stokes equations☆25Jun 10, 2018Updated 7 years ago
- This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accur…☆24Oct 3, 2024Updated last year
- Tools for performing vibrational analysis on molecular systems.☆18Sep 15, 2023Updated 2 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆54Nov 26, 2025Updated 4 months ago
- Beamer theme for OsloMet - Oslo Metropolitan University☆15Jul 26, 2022Updated 3 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.
- Pytherm: An open-source scientific tool for thermodynamic modeling☆23Feb 12, 2026Updated 2 months ago
- OMNI-P2x: A universal neural network potential for excited states☆13Mar 19, 2026Updated 3 weeks ago
- Package to make analysis of transmission electron microscopy images simple.☆16Mar 31, 2026Updated 2 weeks ago
- Configure the keyboard backlight on ASUS laptops.☆17Mar 20, 2018Updated 8 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Mar 12, 2026Updated last month
- Using Mamba-forge for Python environment management☆22Oct 1, 2024Updated last year
- ☆11Aug 13, 2025Updated 8 months ago
- ☆19Jun 29, 2017Updated 8 years ago
- ☆11Aug 29, 2022Updated 3 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.
- COSMOSS is a Coupled OScillator MOdel Spectrum Simulator☆10Jun 20, 2021Updated 4 years ago
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 years ago
- ☆39Mar 25, 2026Updated 3 weeks ago
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆46Feb 25, 2026Updated last month
- One page for all your links 🔗☆21Aug 24, 2020Updated 5 years ago
- Some collected tools for molecular simulation pipelines☆44Aug 18, 2018Updated 7 years ago
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 2 months ago