Statistical Mechanics on Lattices
☆96May 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☆12May 14, 2026Updated last week
- Sparse Linear Regression Models☆20May 14, 2026Updated last week
- A python library for calculating materials properties from the PES☆141May 17, 2026Updated last week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆140May 4, 2026Updated 2 weeks ago
- atomate2 is a library of computational materials science workflows☆311Updated 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.
- A toolkit for visualizations in materials informatics.☆313May 16, 2026Updated last week
- Library for Crystal Symmetry in Rust☆73Updated this week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆253May 15, 2026Updated last week
- Heavyweight plotting tools for ab initio calculations☆251Apr 9, 2026Updated last month
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆225Updated this week
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 6 years ago
- Quick Uncertainty and Entropy via STructural Similarity☆60Apr 1, 2026Updated last month
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆84Apr 15, 2026Updated last month
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 4 months 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.
- jobflow is a library for writing computational workflows.☆120May 12, 2026Updated last week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆100Apr 16, 2026Updated last month
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- A tool for finding optimized SQS structures tool written in C++☆72Apr 22, 2026Updated last month
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆36Dec 8, 2022Updated 3 years ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆23May 6, 2026Updated 2 weeks ago
- Band structure unfolding made easy!☆67Apr 28, 2026Updated 3 weeks ago
- A foundational potential energy dataset for materials☆56Updated this week
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 8 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33Jan 12, 2026Updated 4 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- ☆10Sep 26, 2025Updated 7 months ago
- Collection of tutorials to use the MACE machine learning force field.☆57Jan 22, 2026Updated 4 months ago
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆262May 15, 2026Updated last week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆383Feb 19, 2026Updated 3 months ago
- Graph deep learning library for materials☆545Updated this week
- Derivative structure enumeration library☆85Nov 16, 2024Updated last year
- Torch-native, batchable, atomistic simulations.☆462Updated 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.
- train and use graph-based ML models of potential energy surfaces☆123May 7, 2026Updated 2 weeks ago
- ☆42May 14, 2026Updated last week
- materials science related animations☆13Jan 9, 2025Updated last year
- Analysis of quantum chemical interactions in molecules and solids.☆118Apr 19, 2026Updated last month
- Defect analysis modules for pymatgen☆63May 11, 2026Updated last week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆50May 6, 2024Updated 2 years ago
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆18Apr 9, 2026Updated last month