☆18Oct 25, 2022Updated 3 years ago
Alternatives and similar repositories for thermoelectricsdb
Users that are interested in thermoelectricsdb are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Apr 8, 2023Updated 3 years ago
- ChemDataExtractor 2.1 that has been modified for extracting properties of molecular thermally-activated delayed fluorescent (TADF) materi…☆14May 23, 2025Updated last year
- This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.☆13Mar 11, 2025Updated last year
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 3 years ago
- ☆12Jun 26, 2023Updated 3 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆14Dec 14, 2024Updated last year
- A Flexible Tool for EM-Radiation-emitting Semiconductor Heterostructure Optimization using Quantum models☆11Nov 3, 2020Updated 5 years ago
- Accelerated Design of Layered Materials with Bayesian Optimization☆19Dec 10, 2018Updated 7 years ago
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆10Aug 25, 2021Updated 4 years ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆14Jan 9, 2026Updated 7 months ago
- Graph-based Deep Learning of Polycrystals☆19Nov 12, 2022Updated 3 years ago
- An attention-based deep neural network for thermoelectric transport properties☆18Apr 5, 2023Updated 3 years ago
- ☆14Dec 6, 2023Updated 2 years ago
- ☆13Jul 13, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Mathematics for Data Science and Machine Learning Workshop Materials☆12Mar 11, 2021Updated 5 years ago
- URL links to phonondb data☆40May 20, 2026Updated 2 months ago
- The Harmonagon™ is a web app that uses simple geometric shapes to teach music to anyone, anywhere, for free.☆13Sep 29, 2017Updated 8 years ago
- Machine learning code used in "Quantum Chemistry Informed Active Learning to Accelerate the Design and Discovery of Sustainable Energy St…☆12Feb 24, 2020Updated 6 years ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Apr 7, 2020Updated 6 years ago
- ftyuejian / Predicting-CO2-Absorption-in-Ionic-Liquid-with-Molecular-Descriptors-and-Explainable-GNNData and code for Predicting CO2 Absorption in Ionic Liquid with Molecular Descriptors and Explainable Graph Neural☆20Sep 2, 2022Updated 3 years ago
- EMNLP 2022 Demo "SynKB: Semantic Search for Chemical Synthesis Procedures"☆17Oct 31, 2022Updated 3 years ago
- This repository contains the code and slides associated with the Sargent Centre PSE Summer School on Bayesian Optimization held in Septem…☆16Sep 2, 2024Updated last year
- 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.
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated 2 years ago
- some tools for post-processing VASP output files.☆12Mar 24, 2021Updated 5 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- OpenGLaDOS chatbot using the llama3-70b-8192 and llama-3.3-70b-versatile LLMs.☆10Aug 3, 2026Updated last week
- Optical Prediction Neural Network -- Emulating Optical Simulations with a Neural Network☆12Jan 18, 2023Updated 3 years ago
- ☆12Jul 20, 2026Updated 3 weeks ago
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 3 years ago
- Graphic user interface (GUI) for the battery database.☆16Feb 10, 2023Updated 3 years ago
- Challenge for 2026 ML Sys Interns☆20Mar 26, 2026Updated 4 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆16Sep 16, 2025Updated 10 months ago
- ☆14Updated this week
- Simulation of ODMR spectra for Nitrogen Vacancy ensembles☆15Jan 9, 2023Updated 3 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆16Sep 25, 2023Updated 2 years ago
- Calculate thermodynamic properties of matter using phonon gas model (PGM)☆17Sep 6, 2023Updated 2 years ago
- Code base for the graph neural network-based polygrain microstructure property prediction project☆49May 27, 2022Updated 4 years ago
- Semiemperical quasiharmonic thermal elasticity☆22Dec 10, 2025Updated 8 months ago