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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Mar 17, 2019Updated 7 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 5 months ago
- BERTOS: transformer for oxidation state prediction☆15Apr 18, 2025Updated last year
- 致力于AI for science的交叉学科融合。☆11Aug 18, 2024Updated last year
- This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.☆13Mar 11, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- AlphaFlow Reinforcement Learning☆10Apr 13, 2023Updated 3 years ago
- An Introduction to Optimization Algorithms☆12Dec 26, 2020Updated 5 years ago
- Convergence of multiple synthetic paradigms in a universally programable chemical synthesis machine☆12Feb 9, 2021Updated 5 years ago
- Backend for the Catalysis-hub database build with Flask, GraphQL and SQLAlchemy☆13May 19, 2026Updated last week
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆15Jun 16, 2021Updated 4 years ago
- Lattice Convolutional Neural Network (LCNN)☆11Sep 15, 2021Updated 4 years ago
- NAMD - a parallel, object-oriented molecular dynamics code☆10Sep 29, 2016Updated 9 years ago
- Functional builders for vecty elements (not maintained right now)☆10Nov 7, 2019Updated 6 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 6 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.
- Create PDF from XML file☆11Apr 27, 2020Updated 6 years ago
- ☆12Mar 12, 2023Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆23Jun 17, 2024Updated last year
- Discrete dipole approximation implementation in python☆16Sep 21, 2015Updated 10 years ago
- Registry for Molecular Simulation Packages☆11Dec 16, 2022Updated 3 years ago
- Jupyter Integration for MATLAB using VNC☆17Sep 26, 2025Updated 8 months ago
- drclient for jlu win32 version☆14Feb 23, 2019Updated 7 years ago
- The code corresponding to Predictive Minisci Late Stage Functionalization with Transfer Learning☆12Nov 20, 2024Updated last year
- Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".☆29Nov 13, 2019Updated 6 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Battery aging modes across NMC☆13Oct 26, 2022Updated 3 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- A simple peristaltic pump, with bearings and 3d printed parts for a NEMA17☆15Oct 2, 2022Updated 3 years ago
- ☆12Oct 1, 2025Updated 7 months ago
- ☆12Oct 13, 2025Updated 7 months ago
- ☆11Nov 3, 2019Updated 6 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- Vector Finite Difference Maxwell Modesolver☆16Jun 8, 2024Updated last year
- Dual Adaptive Sampling for Machine Learning Interatomic potential.☆10Dec 3, 2021Updated 4 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.
- Official implementation of "Approximating Gradients for Differentiable Quality Diversity in Reinforcement Learning"☆22Oct 3, 2022Updated 3 years ago
- Adjoint-solver module for MEEP.☆12Dec 7, 2019Updated 6 years ago
- A Vim/Neovim syntax plugin for VASP's input files☆13Apr 23, 2025Updated last year
- 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
- Analysis of Variance for Julia, the old-fashioned way.☆16Dec 7, 2022Updated 3 years ago
- Wine patched to work with the D3D9 state tracker.☆26Jan 26, 2019Updated 7 years ago
- MVTrans: Multi-view Perception to See Transparent Objects (ICRA2023)☆20Aug 8, 2023Updated 2 years ago