☆14Jan 22, 2025Updated last year
Alternatives and similar repositories for DefiNet
Users that are interested in DefiNet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function☆11Aug 20, 2024Updated 2 years ago
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- Python software that implements the formulation for evaluating the effects of electron-phonon coupling on the optical properties of defec…☆12Sep 30, 2026Updated last month
- The program supports VASP POSCAR format as input or output. Using Surfkit you can get an output POSCAR file of crystal slab, twisted b…☆13Dec 5, 2023Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Benchmarking Large Language Models for Materials Science Tools☆18Sep 18, 2025Updated last year
- ☆16Sep 11, 2026Updated 2 months ago
- Prediction of phonon properties using e3nn☆11Mar 30, 2026Updated 7 months ago
- Assessment and Application of Universal Machine Learning Interatomic Potentials in Solid-State Electrolyte Research☆12Oct 7, 2025Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆15Nov 5, 2026Updated last week
- Polymer property prediction with GNNs and deep set learning.☆34May 31, 2023Updated 3 years ago
- ☆15Dec 6, 2024Updated last year
- Python package for Moiré EXciton calculations☆17Oct 30, 2026Updated 2 weeks ago
- Source code and examples for searching structures using RANGE☆15Aug 26, 2026Updated 2 months ago
- 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.
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Jan 3, 2025Updated last year
- ☆25Nov 1, 2024Updated 2 years ago
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated 2 years ago
- Database and code for predicting polymer solubility with machine learning.☆12Dec 11, 2024Updated last year
- AI boosted Q-robot for VASP daily processing.☆15Oct 30, 2026Updated 2 weeks ago
- LAMMPS-GUI - The graphical interface for learning and running LAMMPS☆19Updated this week
- A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …☆20Jun 25, 2020Updated 6 years ago
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated 2 years ago
- An application for generating customizable slabs and interfaces for first-principles simulations.☆12Aug 26, 2026Updated 2 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Machine learning package for data-driven modeling and simulation of particle systems, materials, and complex fluids (interfaces with LAMM…☆10Apr 7, 2026Updated 7 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆49Oct 17, 2025Updated last year
- AI for crystal materials☆204Updated this week
- Enhanced sampling in the representation space of atomistic neural networks.☆17Updated this week
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Oct 16, 2026Updated 3 weeks ago
- CRISP: Enhancing ASE Workflows with Advanced Molecular Simulation Post-Processing☆13Updated this week
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- Input files for ASE-MC manuscript☆33Jul 30, 2026Updated 3 months ago
- 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.
- Diffusion models for disordered materials☆25Nov 18, 2025Updated 11 months ago
- Pushing the Pareto front of band gap and permittivity with ML-guided dielectric materials discovery incl. experimental synthesis and char…☆16Jun 22, 2026Updated 4 months ago
- Rapid building, fitting, and application of machine learning force fields☆10Oct 19, 2026Updated 3 weeks ago
- ☆17Jul 23, 2026Updated 3 months ago
- Code for the paper "Algorithmic differentiation for plane-wave DFT"☆11Mar 4, 2026Updated 8 months ago
- Cartesian Atomic Moment Potentials -- CAMP☆11Jun 18, 2025Updated last year
- ☆30Sep 9, 2026Updated 2 months ago
Are these results useful?