Python input file generators for Avogadro 2
☆16Nov 3, 2026Updated this week
Alternatives and similar repositories for avogenerators
Users that are interested in avogenerators are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automated DFT Input File Generator using wxDragon☆16Sep 21, 2023Updated 3 years ago
- Non-covalent index plots in molecular systems.☆22Sep 6, 2017Updated 9 years ago
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆16Jul 27, 2024Updated 2 years ago
- Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp.☆28Aug 24, 2026Updated 2 months ago
- wxMacMolPlt is a graphical user interface principally for the GAMESS program☆31Jan 3, 2024Updated 2 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.
- GUI4dft - first free SIESTA oriented GUI☆29Jul 15, 2026Updated 3 months ago
- This WaNo performs the DFT calculation using Vasp code. In this WaNo, the POTCAR might be automatically generated after reading the POSCA…☆14Jun 30, 2025Updated last year
- General outline of how to perform DFT calculation using VASP with some advanced calculation topics as well☆17Sep 16, 2018Updated 8 years ago
- Python-based library for working with computational chemistry files☆23Oct 29, 2025Updated last year
- Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files☆16Oct 21, 2015Updated 11 years ago
- Common molecule fragments for visualization in Avogadro☆17Oct 23, 2026Updated last week
- Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020☆19Sep 25, 2026Updated last month
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- Molecular structure optimizer☆134Jul 18, 2026Updated 3 months 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.
- QM40 is a QMx type of dataset which includes 150K molecules optimized from B3LYP/6-31G(2df,p) level of theory in the Gaussian16 with QM p…☆24Mar 25, 2025Updated last year
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 3 years ago
- BURAI, a GUI system of Quantum ESPRESSO☆74May 7, 2021Updated 5 years ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Code simulating various STM techniques, especially for tilting tips (dependent on https://github.com/Probe-Particle/ppafm )☆14Sep 7, 2026Updated last month
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆32Jul 1, 2024Updated 2 years ago
- ☆17May 29, 2024Updated 2 years ago
- Visualization of multiple tandem mass spectrometry data☆10Jun 15, 2020Updated 6 years ago
- ☆19Nov 21, 2022Updated 3 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.
- Molecular fragments and inorganic ligands for rapidly building structures☆11Oct 24, 2026Updated last week
- An open-source, online textbook introducing Python programming to chemistry students☆27Dec 7, 2020Updated 5 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆19Dec 18, 2022Updated 3 years ago
- python code for Multi-Coordinate Driving (MCD) method☆17Jul 16, 2024Updated 2 years ago
- Visualization and editing of periodic molecular structure files.☆29May 29, 2026Updated 5 months ago
- WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.☆16Jul 31, 2026Updated 3 months ago
- Computational Chemistry Input Generator☆53Jun 11, 2026Updated 4 months ago
- AC 209 Data Science Final project - A data driven, Quantum Mechanical understanding of Chemistry AKA Trying to make sense of 134k quantum…☆19Jun 23, 2015Updated 11 years ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 9 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆49Jun 26, 2025Updated last year
- A distributed framework based on Monte Carlo tree search for accelerating molecular discovery.☆14Mar 20, 2018Updated 8 years ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 7 years ago
- A few tools for doing video processing on the Zybo FPGA board using VHDL☆11Jun 6, 2017Updated 9 years ago
- Plotting utilities for mass spectrometry data☆10Jun 25, 2026Updated 4 months ago
- ☆19Aug 10, 2023Updated 3 years ago
- Configuration files to configure/compile Abinit☆10Jan 25, 2026Updated 9 months ago