MatDeepLearn for DOS prediction
☆27Aug 11, 2022Updated 4 years ago
Alternatives and similar repositories for MatDeepLearn_DOS
Users that are interested in MatDeepLearn_DOS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Theory Infused Neural Network☆11May 6, 2026Updated 3 months ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆206Mar 20, 2023Updated 3 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆23Nov 13, 2021Updated 4 years ago
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆17May 9, 2019Updated 7 years ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years 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.
- Interfacial Phonon code☆29Jul 31, 2022Updated 4 years ago
- General post-processing scripts used for my research☆18Apr 17, 2018Updated 8 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆892Sep 6, 2021Updated 4 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆15Aug 31, 2022Updated 4 years ago
- ☆25May 7, 2026Updated 3 months ago
- ☆14May 26, 2021Updated 5 years ago
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆19Nov 21, 2019Updated 6 years ago
- ☆31Apr 17, 2022Updated 4 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆15Aug 16, 2019Updated 7 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- 利用知识图谱嵌入模型研 究阿尔茨海默病的药物重定位.☆11May 15, 2023Updated 3 years ago
- Superconductors material dataset☆28Dec 5, 2023Updated 2 years ago
- potfit force-matching code☆43Aug 25, 2026Updated last week
- Curatable database for experimental and theoretical data on solid materials.☆13Aug 26, 2026Updated last week
- Using PINN to predict cyclic voltammetry with knowledge of only boundary condition and diffusion law☆21Feb 13, 2026Updated 6 months ago
- GNN property predictor -> molecular generator☆34Aug 14, 2025Updated last year
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Aug 23, 2022Updated 4 years ago
- Suite for Analysis of Molecular Simulations☆12Updated this week
- Molar is a database management to make it easy to store experiment whether computational or not☆12Jul 15, 2022Updated 4 years ago
- 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.
- 《能源环境材 料计算模拟方法》学习笔记，包括linux基础命令、pbs作业管理系统、vasp、materials studio等。☆24Aug 12, 2026Updated 3 weeks ago
- Material parsers and other tools, scripts Initially developed for Grobid Superconductor☆14Feb 21, 2025Updated last year
- image-based generative model for inverse design of solid state materials☆44Feb 18, 2022Updated 4 years ago
- Code to reproduce experiments from:☆10Dec 11, 2020Updated 5 years ago
- Physics-incorporated Graph Neural Network Using Dynamic Higher-Order Spatio-temporal Graphs for Multivariate Time Series Imputation☆16Apr 17, 2026Updated 4 months ago
- InsightGraph: A Visual Journey through Materials Articles☆18Jul 20, 2023Updated 3 years ago
- Physics-Informed Neural Networks for Solving Multiscale Mode-Resolved Phonon Boltzmann Transport Equation☆22Sep 27, 2021Updated 4 years ago
- Benchmark AFLOW Data Sets for Machine Learning doi.org/10.1007/s40192-020-00174-4☆11Aug 29, 2020Updated 6 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…☆17Aug 18, 2021Updated 5 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆56Mar 20, 2024Updated 2 years ago
- ☆24Jul 27, 2022Updated 4 years ago
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆24Mar 12, 2022Updated 4 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆15Jan 31, 2025Updated last year
- Generate and predict molecular electron densities with Euclidean Neural Networks☆49Sep 22, 2023Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago