A graphical user interface for LobsterPy
☆20Nov 8, 2025Updated 7 months ago
Alternatives and similar repositories for LobsterPyGUI
Users that are interested in LobsterPyGUI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- OpenGLaDOS chatbot using the llama3-70b-8192 and llama-3.3-70b-versatile LLMs.☆10Updated this week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆123Jun 2, 2026Updated last week
- This tutorial explains how to use ATAT to generate SQS for disordered alloys. It covers basic steps of creating a unit cell, generating c…☆19May 28, 2023Updated 3 years ago
- atomate2 is a library of computational materials science workflows☆315Jun 1, 2026Updated last week
- ☆12Apr 14, 2026Updated last month
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Jun 1, 2026Updated last week
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Python tools for working with LAMMPS files☆16Apr 28, 2026Updated last month
- Grand canonical optimization of grain boundary phases.☆33Apr 12, 2026Updated last month
- Code for automated fitting of machine learned interatomic potentials.☆151Jun 1, 2026Updated last week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated 4 months ago
- A HTML5 autoindex for NGINX without the fancy index module or ajax calls.☆28Dec 10, 2024Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated 2 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.
- Materials for the ML schools at IISC 2025☆14Jan 18, 2025Updated last year
- D3Q + thermal2☆27Nov 3, 2025Updated 7 months ago
- Library for Crystal Symmetry in Rust☆75Jun 1, 2026Updated last week
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Updated this week
- Lecture materials for: Ab initio methods in solid state physics.☆28Jan 4, 2026Updated 5 months ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆36Apr 29, 2026Updated last month
- Defect analysis modules for pymatgen☆64Jun 1, 2026Updated last week
- APEX: Alloy Properties EXplorer using simulations☆45Updated this week
- Script to generate distorted perovskite structures☆13Feb 10, 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.
- ☆14Mar 18, 2025Updated last year
- Molara is a Python package for the visualization of chemical structures such as molecules or crystals. It provides a graphical user inte…☆18Jun 2, 2026Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆67Apr 26, 2026Updated last month
- python workflow toolkit☆43Dec 23, 2025Updated 5 months ago
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 2 years ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Jun 1, 2026Updated last week
- GitHub for AI4PD 2023 Workshop in Chile☆12Oct 12, 2023Updated 2 years ago
- Tools for geometric learning☆12Sep 26, 2025Updated 8 months ago
- A demo code for implementation of differentiable thermodynamic modeling in JAX.☆10Sep 18, 2021Updated 4 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.
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆13Mar 12, 2026Updated 2 months ago
- A Python library and command line interface for automated free energy calculations☆92Jun 1, 2026Updated last week
- The core of the SEAMM environment and graphical interface.☆17Mar 19, 2026Updated 2 months ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆17Apr 20, 2026Updated last month
- Code to analyze molecular dynamics trajectory☆18Nov 13, 2024Updated last year
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago