myungjoon / SGCNNView external linksLinks
Slab graph convolutional neural networks for predicting surface-related material properties
☆18Oct 6, 2020Updated 5 years ago
Alternatives and similar repositories for SGCNN
Users that are interested in SGCNN are comparing it to the libraries listed below
Sorting:
- ☆13Mar 17, 2019Updated 6 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 2 months ago
- BERTOS: transformer for oxidation state prediction☆15Apr 18, 2025Updated 9 months ago
- This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.☆13Mar 11, 2025Updated 11 months ago
- Moxa Linux platform example code.☆10Jul 19, 2019Updated 6 years ago
- Functional builders for vecty elements (not maintained right now)☆10Nov 7, 2019Updated 6 years ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆13Aug 23, 2021Updated 4 years ago
- Battery aging modes across NMC☆12Oct 26, 2022Updated 3 years ago
- A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).☆18Feb 4, 2026Updated last week
- OS Development☆11Jul 13, 2023Updated 2 years ago
- 致力于AI for science的交叉学科融合。☆10Aug 18, 2024Updated last year
- Lattice Convolutional Neural Network (LCNN)☆11Sep 15, 2021Updated 4 years ago
- An Introduction to Optimization Algorithms☆11Dec 26, 2020Updated 5 years ago
- Backend for the Catalysis-hub database build with Flask, GraphQL and SQLAlchemy☆13Nov 24, 2025Updated 2 months ago
- This repository is for the ongoing development of educational/demonstration software for use in chemistry classes.☆10Jan 7, 2015Updated 11 years ago
- ☆11Nov 3, 2019Updated 6 years ago
- Registry for Molecular Simulation Packages☆11Dec 16, 2022Updated 3 years ago
- The code corresponding to Predictive Minisci Late Stage Functionalization with Transfer Learning☆12Nov 20, 2024Updated last year
- Real-time fMRI for a GE MRI system☆17Aug 21, 2018Updated 7 years ago
- ☆13Jan 6, 2021Updated 5 years ago
- These are the famous Uppsala Software Factory programs, rescued into GitHub.☆10Nov 3, 2022Updated 3 years ago
- Dual Adaptive Sampling for Machine Learning Interatomic potential.☆10Dec 3, 2021Updated 4 years ago
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆12Jun 16, 2021Updated 4 years ago
- This is Circuit Solver which can solve any kind of circuit for you. Do check it out!!☆11Nov 20, 2022Updated 3 years ago
- Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)☆12Mar 11, 2025Updated 11 months ago
- drclient for jlu win32 version☆12Feb 23, 2019Updated 6 years ago
- ☆13Feb 12, 2023Updated 3 years ago
- Discrete dipole approximation implementation in python☆16Sep 21, 2015Updated 10 years ago
- DESSERT Effeciently Searches Sets of Embeddings via Retrieval Tables☆17Feb 21, 2024Updated last year
- Convergence of multiple synthetic paradigms in a universally programable chemical synthesis machine☆12Feb 9, 2021Updated 5 years ago
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论,…☆66Aug 27, 2021Updated 4 years ago
- Adjoint-solver module for MEEP.☆11Dec 7, 2019Updated 6 years ago
- ☆14Jun 25, 2025Updated 7 months ago
- ☆12Nov 15, 2020Updated 5 years ago
- Unsupervised Deep Learning for DAS-VSP Denoising Using Attention-Based Deep Image Prior☆20Aug 19, 2025Updated 5 months ago
- ☆12Feb 28, 2020Updated 5 years ago
- A Vim/Neovim syntax plugin for VASP's input files☆13Apr 23, 2025Updated 9 months ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 3 months ago
- Jupyter Integration for MATLAB using VNC☆16Sep 26, 2025Updated 4 months ago