Statistical Mechanics on Lattices
☆100Oct 5, 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☆12Oct 5, 2026Updated last week
- Sparse Linear Regression Models☆21Oct 5, 2026Updated last week
- A python library for calculating materials properties from the PES☆157Updated this week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆147Oct 1, 2026Updated last week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆283Updated this week
- 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 toolkit for visualizations in materials informatics.☆336Oct 3, 2026Updated last week
- ☆17Apr 22, 2025Updated last year
- Heavyweight plotting tools for ab initio calculations☆260Sep 3, 2026Updated last month
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆42Updated this week
- A tool for finding optimized SQS structures tool written in C++☆80Updated this week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆73Apr 26, 2026Updated 5 months ago
- atomate2 is a library of computational materials science workflows☆354Updated this week
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 7 years ago
- Defect structure-searching employing chemically-guided bond distortions☆131Jul 17, 2026Updated 2 months 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.
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆88Updated this week
- MCMC-based algorithm for sampling surface reconstructions☆46Mar 1, 2026Updated 7 months ago
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 9 months ago
- A foundational potential energy dataset for materials☆61Aug 4, 2026Updated 2 months ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆255Oct 3, 2026Updated last week
- jobflow is a library for writing computational workflows.☆128Sep 7, 2026Updated last month
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆45May 28, 2026Updated 4 months ago
- Library for Crystal Symmetry in Rust☆84Updated this week
- 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.
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Oct 5, 2026Updated last week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆106Sep 3, 2026Updated last month
- 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!☆70Jul 6, 2026Updated 3 months ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 6 months ago
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆298Oct 6, 2026Updated last week
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆99Sep 20, 2025Updated last year
- ☆140May 3, 2026Updated 5 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆34Sep 11, 2026Updated last month
- 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.
- Grand canonical optimization of grain boundary phases.☆34Jul 6, 2026Updated 3 months ago
- ☆10Sep 26, 2025Updated last year
- Graph deep learning library for materials☆578Sep 30, 2026Updated last week
- Quick Uncertainty and Entropy via STructural Similarity☆67Apr 1, 2026Updated 6 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆46Sep 13, 2026Updated 3 weeks ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆413Sep 15, 2026Updated 3 weeks ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆20Aug 19, 2024Updated 2 years ago