lrcfmd / FUSE-stableLinks
The latest stable release for the crystal structure prediction code FUSE
☆12Updated 6 months ago
Alternatives and similar repositories for FUSE-stable
Users that are interested in FUSE-stable are comparing it to the libraries listed below
Sorting:
- Phonons from ML force fields☆23Updated last month
- Original implementation of CSPML☆26Updated 8 months ago
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆19Updated last year
- A collection of files related to machine learning force fields☆21Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Updated last year
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆45Updated last month
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated 2 years ago
- A Benchmarking Framework for Crystal GNNs☆20Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆22Updated 5 months ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆14Updated last year
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆19Updated 9 months ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆25Updated 2 years ago
- Tutorial exercises for the OPTIMADE API☆16Updated last year
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆70Updated last month
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆39Updated last week
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆25Updated 6 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- A molecular simulation package integrating MLFFs in MOFs for DAC☆36Updated 2 weeks ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated 2 weeks ago
- Random symmetric initialization of crystals☆22Updated 7 years ago
- Practical guide on how to use VASP☆23Updated 5 years ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆28Updated 2 weeks ago
- Python interface for the zeo++ package☆12Updated last week
- Some tutorial-style examples for validating machine-learned interatomic potentials☆35Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆20Updated 4 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- Python package to analyse the structural dynamics of perovskites☆44Updated 8 months ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆12Updated 4 months ago