☆15Oct 9, 2025Updated 5 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:
- ☆13Oct 9, 2025Updated 5 months ago
- ☆22Jan 25, 2023Updated 3 years ago
- Chemoinformatics toolkit with support for inorganic molecules☆45Oct 9, 2025Updated 5 months ago
- Python library for optimizing molecular structures and determining chemical reaction pathways.☆19May 3, 2024Updated last year
- ParametrizANI - Fast, Accurate and Free Dihedral Parametrization in the Cloud with TorchANI☆22Jul 28, 2025Updated 8 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆26Jun 2, 2022Updated 3 years ago
- A tiny parser for more flexible conda environment files☆15Nov 19, 2021Updated 4 years ago
- ☆24May 19, 2022Updated 3 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- Electronegativity equilibration model for atomic partial charges☆22Mar 9, 2026Updated 3 weeks ago
- Surface segregation using Deep Reinforcement Learning☆13Aug 30, 2021Updated 4 years ago
- IQmol version 3☆36Updated this week
- Python client for TeraChem Cloud☆13Jun 19, 2025Updated 9 months ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Molecular frequency-dependent response properties for arbitrary operators☆11Mar 21, 2026Updated last week
- CHIPS, or Cellular and Hemodynamic Image Processing Suite, is an open-source MATLAB toolbox designed to analyse functional images of cell…☆18Oct 13, 2021Updated 4 years ago
- The App Store for VMD extensions.☆14Jan 14, 2023Updated 3 years ago
- Benchmarks of the H2O Ensemble R interface (H2O 2.0).☆14Nov 4, 2020Updated 5 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆58Jan 10, 2026Updated 2 months ago
- Scripts and instructions for deploying ORCA quantum chemistry program on Linux.☆17Jan 14, 2026Updated 2 months ago
- SpecDis is a handy tool to process the results of quantum-chemical ECD/UV, ORD, or VCD/IR calculations. It supports diverse software pack…☆11Oct 13, 2017Updated 8 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Aug 8, 2017Updated 8 years ago
- Life is too short for perfection☆19Jun 10, 2021Updated 4 years ago
- ERKALE -- HF/DFT from Hel☆53Jan 25, 2026Updated 2 months ago
- Quasiclassical and classical dynamics with Gaussian☆13Apr 26, 2021Updated 4 years ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11May 15, 2024Updated last year
- A Computational Chemistry DataBase