☆14Mar 17, 2019Updated 7 years ago
Alternatives and similar repositories for GASpy_manuscript
Users that are interested in GASpy_manuscript are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆12Oct 19, 2023Updated 2 years ago
- Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".☆29Nov 13, 2019Updated 6 years ago
- [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion☆24May 9, 2024Updated 2 years ago
- Slab graph convolutional neural networks for predicting surface-related material properties☆18Oct 6, 2020Updated 5 years ago
- ☆75Mar 19, 2021Updated 5 years ago
- 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.
- ☆15Feb 5, 2025Updated last year
- A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).☆24Apr 14, 2026Updated last month
- Alchemical machine learning interatomic potentials☆35Nov 8, 2024Updated last year
- Theory Infused Neural Network☆11May 6, 2026Updated last month
- ☆11Nov 3, 2019Updated 6 years ago
- S/TEM Automated Nanoparticle Analysis☆32Apr 13, 2026Updated 2 months ago
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- Code repo of Automated MUltiscale Simulation Environment (AMUSE) for multiscale modeling of heterogenous catalytic reactions☆24Nov 12, 2024Updated last year
- Machine Learning for Catalysis☆20May 25, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆37May 12, 2026Updated last month
- CatBench - Benchmark Framework of Machine Learning Interatomic Potentials in Adsorption Energy Predictions☆55Apr 19, 2026Updated last month
- Materials Science Scripts☆13Aug 28, 2025Updated 9 months ago
- 一个简洁高效的 AI 命令行助手，支持对话、命令生成、文件处理。☆17Sep 16, 2025Updated 8 months ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆24Jun 5, 2024Updated 2 years ago
- General purpose tools for high-throughput catalysis☆104May 20, 2025Updated last year
- ☆67May 4, 2026Updated last month
- Topological analysis for Li local space, site, pathway in crystal structures☆14Jan 21, 2020Updated 6 years ago
- 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.
- Corresponding dataset and tools for the AdsorbML manuscript.☆45Feb 5, 2025Updated last year
- Plots for "Machine-learned and codified synthesis parameters of oxide materials" in the journal Scientific Data☆14Jul 6, 2017Updated 8 years ago
- Surface segregation using Deep Reinforcement Learning☆13Aug 30, 2021Updated 4 years ago
- 基于python的PLUMED的可视化界面开发☆13Jan 8, 2025Updated last year
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 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
- ☆94Mar 19, 2026Updated 2 months ago
- Examples of using the Atomic Simulation Environment☆39Feb 15, 2016Updated 10 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A library for modeling energy storage devices.☆18Jul 24, 2019Updated 6 years ago
- Lattice Convolutional Neural Network (LCNN)☆11Sep 15, 2021Updated 4 years ago
- Example for latex to word using Pandoc☆14Apr 23, 2022Updated 4 years ago
- The course materials for "Machine Learning in Chemistry 101"☆88Oct 19, 2020Updated 5 years ago
- drclient for jlu win32 version☆13Feb 23, 2019Updated 7 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆15Aug 16, 2019Updated 6 years ago
- Fast estimation of ion-pairing for screening electrolytes☆11Aug 23, 2022Updated 3 years ago