Zeobuilder is an extensible GUI-toolkit for molecular model construction.
☆13Feb 15, 2019Updated 7 years ago
Alternatives and similar repositories for zeobuilder
Users that are interested in zeobuilder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MolMod is a collection of molecular modelling tools for python.☆60Feb 21, 2024Updated 2 years ago
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆23Nov 20, 2023Updated 2 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Machine learning tools for Chemistry☆10Jan 5, 2018Updated 8 years ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 6 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.
- Pi4U - High Performance Framework for Bayesian Uncertainty Quantification and Optimization☆16Sep 4, 2020Updated 5 years ago
- Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size☆24Oct 8, 2016Updated 9 years ago
- A Python suite for manipulating VASP input and output☆54Mar 28, 2026Updated 3 months ago
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 4 months ago
- A Python code to quickly derive ab initio parameterized force fields.☆43Nov 7, 2023Updated 2 years ago
- Open source graphical interface to various DFT/Quantum chemistry codes☆18Dec 8, 2022Updated 3 years ago
- molSimplify code☆224May 27, 2026Updated last month
- Polarisable force field for ionic liquids☆18Apr 16, 2026Updated 2 months ago
- Dynamic Flux Balance analysis in Python☆12Jan 22, 2016Updated 10 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Site-Occupancy Disorder (SOD)☆58Jun 22, 2026Updated last week
- LBFGS optimization algorithm ported from liblbfgs☆12Nov 25, 2022Updated 3 years ago
- A lightweight C++11 Monte Carlo molecular simulation engine☆10Aug 1, 2017Updated 8 years ago
- Show BeaurifulSoup's find result in a webview.☆30Mar 3, 2014Updated 12 years ago
- A library for converting molecular topologies☆13May 20, 2015Updated 11 years ago
- Bayesian inference of conformational populations☆14Jun 11, 2025Updated last year
- A library to interface molecules and machine learning.☆62Jul 31, 2019Updated 6 years ago
- Python library for fitting massive mixture models using DP priors and GPU computation.☆23Apr 7, 2016Updated 10 years ago
- A VMD script to calculate side-chain and backbone dihedrals (torsion angles)☆14Jun 4, 2016Updated 10 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration☆24Sep 5, 2025Updated 9 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated 11 months ago
- ☆40Jun 1, 2026Updated 3 weeks ago
- C++ implementation of the Diffusion Map, with Python bindings☆10Aug 22, 2017Updated 8 years ago
- Light-weight tight-binding framework☆208Jun 18, 2026Updated last week
- Implementation of various machine learning representations for molecules☆25Jan 7, 2022Updated 4 years ago
- Calculate the planar averaged electrostatic potential for the density functional theory code VASP (Version 5 compatible)☆20Sep 10, 2017Updated 8 years ago
- Django based chemical database/inventory☆18Feb 20, 2014Updated 12 years ago
- Open-source implementation of PC-SAFT equation of state☆13Oct 20, 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.
- Pandas-aware non-linear least squares regression using Lmfit☆10Aug 15, 2016Updated 9 years ago
- A Python framework for structural bioinformatics.☆14Jan 20, 2024Updated 2 years ago
- ODE system solver using dG(q), time-discontinuous Galerkin with Lobatto basis. Py3.11-3.14.☆18Updated this week
- Rust interface to nlopt☆12Oct 2, 2020Updated 5 years ago
- A rust client for Zotero's API☆14Nov 6, 2023Updated 2 years ago
- A python package for simulation and analysis of dynamic Boolean network models☆11Jan 23, 2019Updated 7 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated last year