Statistical Mechanics on Lattices
☆99Jul 14, 2026Updated last week
Alternatives and similar repositories for smol
Users that are interested in smol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Jul 14, 2026Updated last week
- Sparse Linear Regression Models☆20Jul 14, 2026Updated last week
- A python library for calculating materials properties from the PES☆148Updated this week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆141Jun 1, 2026Updated last month
- A toolkit for visualizations in materials informatics.☆320Jul 11, 2026Updated last 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.
- ☆16Apr 22, 2025Updated last year
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆269Updated this week
- Heavyweight plotting tools for ab initio calculations☆253Apr 9, 2026Updated 3 months ago
- A tool for finding optimized SQS structures tool written in C++☆74Updated this week
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Updated this week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆69Apr 26, 2026Updated 2 months ago
- atomate2 is a library of computational materials science workflows☆329Updated this week
- Defect structure-searching employing chemically-guided bond distortions☆126Jul 17, 2026Updated last week
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆86Jul 13, 2026Updated last week
- MCMC-based algorithm for sampling surface reconstructions☆44Mar 1, 2026Updated 4 months ago
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 6 months ago
- A foundational potential energy dataset for materials☆57Updated this week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆240Jul 16, 2026Updated last week
- jobflow is a library for writing computational workflows.☆124Updated this week
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44May 28, 2026Updated last month
- Library for Crystal Symmetry in Rust☆76Updated this week
- 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.
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆99Jul 13, 2026Updated last week
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆36Dec 8, 2022Updated 3 years ago
- Band structure unfolding made easy!☆67Jul 6, 2026Updated 2 weeks ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 4 months ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆97Sep 20, 2025Updated 10 months ago
- ☆137May 3, 2026Updated 2 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33Jul 16, 2026Updated last week
- Grand canonical optimization of grain boundary phases.☆33Jul 6, 2026Updated 2 weeks 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.
- ☆10Sep 26, 2025Updated 9 months ago
- Graph deep learning library for materials☆564Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆63Apr 1, 2026Updated 3 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆394Feb 19, 2026Updated 5 months ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆20Aug 19, 2024Updated last year
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Jul 6, 2026Updated 2 weeks ago