PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integrated with ATAT and CALPHAD modeling. Includes tools for structure relaxation, molecular dynamics, and TDB generation.
☆69Apr 26, 2026Updated 2 months ago
Alternatives and similar repositories for PhaseForge
Users that are interested in PhaseForge are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A modular Python framework for deploying, benchmarking, and analyzing state-of-the-art machine learning potentials and simulation workflo…☆26Jun 2, 2026Updated last month
- dataset augmentation for atomistic machine learning☆25Nov 21, 2025Updated 8 months ago
- A python library for calculating materials properties from the PES☆148Updated this week
- ☆18Feb 26, 2026Updated 4 months ago
- A Python library and command line interface for automated free energy calculations☆93Updated this week
- 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.
- Library for Crystal Symmetry in Rust☆76Updated this week
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆27Jul 15, 2026Updated last week
- Quick Uncertainty and Entropy via STructural Similarity☆63Apr 1, 2026Updated 3 months ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆97Sep 20, 2025Updated 10 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 9 months ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 3 weeks ago
- Zentropy-enhanced neural network☆21Jan 3, 2026Updated 6 months ago
- Generate symmetrized force constants☆29Updated this week
- A Benchmark for Extracting Experiments from Scientific Literature | ICML'26 AI4Science!☆17Updated this week
- 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.
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week
- Band structure unfolding made easy!☆67Jul 6, 2026Updated 2 weeks ago
- Code for automated fitting of machine learned interatomic potentials.☆152Updated this week
- Compute neighbor lists for atomistic systems☆83Updated this week
- Grand canonical optimization of grain boundary phases.☆33Jul 6, 2026Updated 2 weeks ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆50Apr 1, 2025Updated last year
- A Python package to perform a chemical motif characterization of short-range order.☆30Jul 19, 2025Updated last year
- ☆111Jun 5, 2026Updated last month
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆16Apr 22, 2025Updated last year
- GRACE models and gracemaker (as implemented in TensorPotential package)☆99Jul 13, 2026Updated last week
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 5 months ago
- A tool for finding optimized SQS structures tool written in C++☆74Updated this week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆105Jul 2, 2026Updated 3 weeks ago
- Pymatgen Core☆21Updated this week
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆32Jun 22, 2026Updated last month
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆106Jan 28, 2026Updated 5 months ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months 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.
- Make periodic table map plots and pettifor-style trend plots.☆28Apr 9, 2018Updated 8 years ago
- Statistical Mechanics on Lattices☆99Jul 14, 2026Updated last week
- A foundational potential energy dataset for materials☆57Updated this week
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆105Updated this week
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 6 months ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 4 months ago