☆15Oct 9, 2025Updated 10 months ago
Alternatives and similar repositories for swoose
Users that are interested in swoose are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Oct 9, 2025Updated 10 months ago
- Chemoinformatics toolkit with support for inorganic molecules☆47Oct 9, 2025Updated 10 months ago
- ☆23Jan 25, 2023Updated 3 years ago
- Bondorder and formal charge determination for molecules☆10Jan 16, 2022Updated 4 years ago
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆27Jun 2, 2022Updated 4 years ago
- 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.
- ColabReaction☆18Dec 31, 2025Updated 7 months ago
- A tiny parser for more flexible conda environment files☆15Nov 19, 2021Updated 4 years ago
- Electronegativity equilibration model for atomic partial charges☆26Jul 29, 2026Updated 2 weeks ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- IQmol version 3☆38Jul 1, 2026Updated last month
- Python client for TeraChem Cloud☆13Jul 16, 2026Updated last month
- Surface segregation using Deep Reinforcement Learning☆13Aug 30, 2021Updated 4 years ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 6 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.
- Molecular frequency-dependent response properties for arbitrary operators☆12Updated this week
- Benchmarks of the H2O Ensemble R interface (H2O 2.0).☆14Nov 4, 2020Updated 5 years ago
- CHIPS, or Cellular and Hemodynamic Image Processing Suite, is an open-source MATLAB toolbox designed to analyse functional images of cell…☆17Oct 13, 2021Updated 4 years ago
- The App Store for VMD extensions.☆15Jan 14, 2023Updated 3 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11May 15, 2024Updated 2 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆64Updated this week
- Scripts and instructions for deploying ORCA quantum chemistry program on Linux.☆17Jan 14, 2026Updated 7 months ago
- Python library for optimizing molecular structures and determining chemical reaction pathways.☆23May 3, 2024Updated 2 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.
- SpecDis is a handy tool to process the results of quantum-chemical ECD/UV, ORD, or VCD/IR calculations. It supports diverse software pack…☆12Oct 13, 2017Updated 8 years ago
- A Computational Chemistry DataBase☆44Jun 28, 2021Updated 5 years ago
- ERKALE -- HF/DFT from Hel☆54Updated this week
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Aug 8, 2017Updated 9 years ago
- Quasiclassical and classical dynamics with Gaussian☆13Apr 26, 2021Updated 5 years ago
- Life is too short for perfection☆16Jun 10, 2021Updated 5 years ago
- CP2K containers☆17Aug 19, 2025Updated 11 months ago
- Numerical integration grid for molecules.☆51Updated this week
- autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis☆20Aug 25, 2021Updated 4 years 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.
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆109Feb 11, 2025Updated last year
- Repository for content for the AMLD2020 workshop "Spiking neural networks for real-time inference tasks"☆17Oct 28, 2020Updated 5 years ago
- IQmol is an open source molecular editor and visualization package☆108Dec 15, 2022Updated 3 years ago
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 years ago
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆20Jul 1, 2024Updated 2 years ago
- ☆25May 19, 2022Updated 4 years ago
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆83Aug 11, 2026Updated last week