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 3 months ago
- Wine patched to work with the D3D9 state tracker.☆26Jan 26, 2019Updated 7 years ago
- Moxa Linux platform example code.☆10Jul 19, 2019Updated 6 years ago
- Lattice Convolutional Neural Network (LCNN)☆11Sep 15, 2021Updated 4 years ago
- 致力于AI for science的交叉学科融合。☆10Aug 18, 2024Updated last year
- An Introduction to Optimization Algorithms☆11Dec 26, 2020Updated 5 years ago
- OS Development☆11Jul 13, 2023Updated 2 years ago
- AlphaFlow Reinforcement Learning☆10Apr 13, 2023Updated 2 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
- Backend for the Catalysis-hub database build with Flask, GraphQL and SQLAlchemy☆13Nov 24, 2025Updated 3 months ago
- A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).☆21Feb 15, 2026Updated 2 weeks 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
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆12Jun 16, 2021Updated 4 years ago
- ☆12Mar 12, 2023Updated 2 years ago
- FT-MS data analysis with Python☆15Oct 23, 2024Updated last year
- ☆11Nov 3, 2019Updated 6 years ago
- This repository is for the ongoing development of educational/demonstration software for use in chemistry classes.☆10Jan 7, 2015Updated 11 years ago
- Registry for Molecular Simulation Packages☆11Dec 16, 2022Updated 3 years ago
- Create PDF from XML file☆11Apr 27, 2020Updated 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
- Convergence of multiple synthetic paradigms in a universally programable chemical synthesis machine☆12Feb 9, 2021Updated 5 years ago
- drclient for jlu win32 version☆12Feb 23, 2019Updated 7 years ago
- Low-Cost Homogeneous Ion Exchange Membrane Formed from Off-the-Shelf Precursors and Manufacturing Process Thereof☆66Feb 18, 2026Updated 2 weeks ago
- ☆13Feb 12, 2023Updated 3 years ago
- DESSERT Effeciently Searches Sets of Embeddings via Retrieval Tables☆17Feb 21, 2024Updated 2 years ago
- Discrete dipole approximation implementation in python☆16Sep 21, 2015Updated 10 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
- Dockerizing PintOS developement environment for KAIST CS330 course☆13Apr 14, 2017Updated 8 years ago
- ☆12Oct 13, 2025Updated 4 months ago
- Vector Finite Difference Maxwell Modesolver☆16Jun 8, 2024Updated last year
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 3 months ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- A Vim/Neovim syntax plugin for VASP's input files☆13Apr 23, 2025Updated 10 months ago
- ☆15Jun 25, 2025Updated 8 months ago