Activate Learning Application to PVK Passivation Molecule Design
☆17May 27, 2026Updated 5 months ago
Alternatives and similar repositories for PVK_Passivation_ML
Users that are interested in PVK_Passivation_ML are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code for paper "Accelerating the discovery of materials for integrated/complex device"☆13Dec 20, 2023Updated 2 years ago
- Zeolite GAN☆28Jun 17, 2020Updated 6 years ago
- Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning☆16Oct 27, 2020Updated 6 years ago
- Reciprocal Space Attention (RSA) for Learning Long-Range Interactions☆17Nov 7, 2025Updated 11 months ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 7 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆36May 23, 2025Updated last year
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 months ago
- ☆16Sep 11, 2026Updated last month
- Chemprop benchmarking scripts and data for v2☆11Aug 25, 2026Updated 2 months ago
- ☆16Updated this week
- ☆18Oct 23, 2024Updated 2 years ago
- Scripts for Photovoltaics Research with McGehee Group☆10May 25, 2015Updated 11 years ago
- A web-based tool for visualization☆10Dec 8, 2022Updated 3 years ago
- ☆14May 10, 2024Updated 2 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.
- Code and data in support of the research paper about robotized exploration of organic reaction spaces☆17Sep 26, 2025Updated last year
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated 2 years ago
- Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function☆11Aug 20, 2024Updated 2 years ago
- Handling Arbitrary Recognition of Data! y not?☆10Mar 25, 2023Updated 3 years ago
- Decision harness for TypeSafe Jev — confidence gates, shadow mode, recipes, and evals. Claude CLI 48.9s → Jev 1.3s on the same row-filter…☆15Sep 25, 2026Updated last month
- Spin space group (SSG) symmetry analysis toolkit for magnetic materials. Automatically identifies and classifies SSGs, generating symmetr…☆22Sep 30, 2026Updated last month
- A collection of tools I created related to the molecular simulations package RASPA.☆13Dec 4, 2023Updated 2 years ago
- ☆15Jul 24, 2024Updated 2 years ago
- Graphics Processing Units Molecular Dynamics☆13Updated this week
- 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.
- ☆77Mar 19, 2021Updated 5 years ago
- Commands to run VASP jobs automatically. Pre-processing or post-processing☆10Jan 8, 2024Updated 2 years ago
- Calculation and visualization tools for theoretical solar cell efficiencies based on the Shockley Queisser limit with options to change t…☆57Feb 17, 2017Updated 9 years ago
- ☆41Oct 26, 2025Updated last year
- Modification of RASPA2 code for GC-TMMC simulations☆14Apr 18, 2024Updated 2 years ago
- ☆13Mar 24, 2025Updated last year
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 3 years ago
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆22Updated this week
- ☆11Dec 10, 2023Updated 2 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.
- VibroML: Machine-Learning Vibrational Analysis & Stability☆11Updated this week
- SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic Table https://pubs.acs.org…☆15Aug 26, 2026Updated 2 months ago
- PLATO: Phonon LAttice TOols a place for all lattice dynamics and thermal transport related tools.☆16Oct 4, 2023Updated 3 years ago
- An AiiDA workflow that implements a fully automated active learning scheme to train a neural network interatomic potential☆14Jul 2, 2026Updated 3 months ago
- An application for generating customizable slabs and interfaces for first-principles simulations.☆12Aug 26, 2026Updated 2 months ago
- Enhanced sampling algorithms for the active learning of machine learning interatomic potentials (ML-IPs), implemented in Julia.☆10Jan 31, 2025Updated last year
- A Python and Machine Learning methods implementation for Crystal Structure Prediction and Diffraction Study☆13Apr 1, 2025Updated last year