Python API wrapping the AFLUX API language for AFLOW library.
☆30May 6, 2021Updated 5 years ago
Alternatives and similar repositories for aflow
Users that are interested in aflow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Run and manage EMTO-DFT calculations easily with this Python package☆13Jan 10, 2021Updated 5 years ago
- image-based generative model for inverse design of solid state materials☆44Feb 18, 2022Updated 4 years ago
- ☆26Nov 12, 2023Updated 2 years ago
- A suite of computational materials science tools.☆145Jun 29, 2026Updated 3 weeks ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆559Apr 27, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 6 years ago
- A toolkit for querying data in OQMD.☆23Jan 2, 2022Updated 4 years ago
- ☆12Sep 24, 2024Updated last year
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 6 years ago
- An attention-based deep neural network for thermoelectric transport properties☆18Apr 5, 2023Updated 3 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆104Jan 13, 2026Updated 6 months ago
- This repo implements a web application utilizing a deep neural network to predict the formation energies and stability of garnet crystals…☆33May 1, 2023Updated 3 years ago
- Efficient phase diagram construction based on uncertainty sampling☆15Jul 26, 2022Updated 3 years ago
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆70May 3, 2024Updated 2 years 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.
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 5 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆290Jun 1, 2026Updated last month
- ☆103Sep 16, 2025Updated 10 months ago
- Data mining for materials science☆606Jul 13, 2026Updated last week
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆122Jun 28, 2024Updated 2 years ago
- k-Bags Convolutional Neural Network☆11Jun 8, 2025Updated last year
- Machine Learning for High Entropy Alloy☆17Aug 11, 2020Updated 5 years ago
- Data-driven risk-conscious thermoelectric materials discovery☆17Jun 16, 2026Updated last month
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆124Jun 7, 2021Updated 5 years 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.
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆37Nov 7, 2019Updated 6 years ago
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 6 years ago
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆20Jul 4, 2023Updated 3 years ago
- Implementation of STN (Spatial Transformer Network) and ICSTN (Inverse Compositional Spatial Transformer Networks) in Tensorlayer to pred…☆15Dec 6, 2021Updated 4 years ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- ☆47Sep 16, 2025Updated 10 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆64May 30, 2019Updated 7 years ago
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆21Jun 28, 2024Updated 2 years ago
- Machine Learning Interatomic Potential Predictions☆93Feb 15, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Make periodic table map plots and pettifor-style trend plots.☆28Apr 9, 2018Updated 8 years ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆16Aug 19, 2022Updated 3 years ago
- rNets: A standalone package to visualize reaction networks☆16Oct 18, 2024Updated last year
- ☆16Aug 5, 2022Updated 3 years ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago
- Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Curre…☆13Jan 15, 2021Updated 5 years ago