A knowledge graph for Materials Science.
☆75Nov 4, 2024Updated last year
Alternatives and similar repositories for propnet
Users that are interested in propnet are comparing it to the libraries listed below
Sorting:
- ☆14Jul 13, 2022Updated 3 years ago
- Word2Vec model trained across 640k+ materials science journal articles☆52Sep 14, 2017Updated 8 years ago
- Representation Learning from Stoichiometry☆60Dec 12, 2022Updated 3 years ago
- Code to access the Matscholar public API.☆69Jun 2, 2021Updated 4 years ago
- Data mining for materials science☆576Mar 9, 2026Updated last week
- A suite of computational materials science tools.☆142Apr 3, 2024Updated last year
- An automatic engine for predicting materials properties.☆168Nov 12, 2023Updated 2 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- Reference implementation in python for Citrination api☆14Updated this week
- XenonPy is a Python Software for Materials Informatics☆149Jul 15, 2024Updated last year
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Oct 31, 2024Updated last year
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆122Jun 7, 2021Updated 4 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Benchmark AFLOW Data Sets for Machine Learning doi.org/10.1007/s40192-020-00174-4☆11Aug 29, 2020Updated 5 years ago
- Training materials☆22Dec 3, 2019Updated 6 years ago
- Specification of a common REST API for access to materials databases☆104Feb 6, 2026Updated last month
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 5 years ago
- InsightGraph: A Visual Journey through Materials Articles☆18Jul 20, 2023Updated 2 years ago
- Veidt is a deep learning library for materials science.☆18May 5, 2020Updated 5 years ago
- ChemML is a machine learning and informatics program suite for the chemical and materials sciences.☆172Dec 6, 2025Updated 3 months ago
- Python package to analyse electron density & electrostatic potential grids☆89Jan 10, 2026Updated 2 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Apr 8, 2024Updated last year
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Python Materials Discovery Framework☆75Feb 2, 2024Updated 2 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆554Apr 27, 2023Updated 2 years ago
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Dec 15, 2014Updated 11 years ago
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆495Aug 28, 2025Updated 6 months ago
- Public repo for Materials API documentation☆143Aug 20, 2022Updated 3 years ago
- This repository contains code for handling the materials images and spectra dataset that is the largest expermental materials science dat…☆15Jan 9, 2024Updated 2 years ago
- Predict materials properties using only the composition information!☆123Apr 23, 2023Updated 2 years ago
- MOOSE Application for simulation of electrodeposition in Li-ion batteries☆20Mar 30, 2022Updated 3 years ago
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆118Jun 28, 2024Updated last year
- High-Throughput Computational Physics Framework☆13Oct 25, 2017Updated 8 years ago
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- CLAIRify: Errors are Useful Prompts: Instruction Guided Task Programming with Verifier-Assisted Iterative Prompting☆47Dec 6, 2024Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year