☆12Aug 14, 2025Updated last year
Alternatives and similar repositories for NanoParticleTools
Users that are interested in NanoParticleTools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Jul 29, 2024Updated 2 years ago
- ☆23Dec 10, 2024Updated last year
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- ☆23Jan 25, 2023Updated 3 years ago
- ☆11Aug 29, 2022Updated 4 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.
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated this week
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 8 months ago
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 7 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- ☆11Apr 22, 2024Updated 2 years ago
- ☆19Oct 24, 2018Updated 7 years ago
- General post-processing scripts used for my research☆18Apr 17, 2018Updated 8 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆27Jun 2, 2022Updated 4 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.
- ☆16Feb 9, 2026Updated 8 months ago
- ☆18Mar 24, 2025Updated last year
- fastsolv python package, website, and paper code☆54Aug 27, 2025Updated last year
- ☆16Nov 29, 2023Updated 2 years ago
- Electronegativity equilibration model for atomic partial charges☆26Updated this week
- Fast continuum solvation based on domain decomposition☆33Oct 6, 2026Updated last week
- Paper for release☆11Sep 24, 2021Updated 5 years ago
- Bondorder and formal charge determination for molecules☆10Jan 16, 2022Updated 4 years ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆18Jun 5, 2023Updated 3 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.
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆23Nov 3, 2022Updated 3 years ago
- Template-directed automatic generation of transition state structures.☆11Nov 22, 2016Updated 9 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆19Dec 18, 2022Updated 3 years ago
- ☆11Jan 5, 2022Updated 4 years ago
- Python package to analyse electron density & electrostatic potential grids☆92Jan 10, 2026Updated 9 months ago
- 2025년 고려대학교 MatKor 스터디 - C++로 SQLIte 만들기☆18Jun 7, 2025Updated last year
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 6 months ago
- Active Learning for Machine Learning Potentials☆71Jun 20, 2026Updated 3 months ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 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.
- Building blocks for scientific data pipelines☆44Oct 2, 2026Updated 2 weeks ago
- ☆13Oct 21, 2018Updated 7 years ago
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated last year
- Geometrical Counter-Poise Correction☆14Aug 17, 2026Updated 2 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆25May 16, 2020Updated 6 years ago
- A fully automated approach to determine the melting temperature of crystalline materials☆22Sep 21, 2026Updated 3 weeks ago
- Simulate colorblindness in Python charts☆27Sep 21, 2026Updated 3 weeks ago