A machine learning model for the prediction of charge density.
☆14Aug 24, 2024Updated 2 years ago
Alternatives and similar repositories for OpenGPNN
Users that are interested in OpenGPNN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Distributed representations of atoms, inspired by the Skip-gram model☆28Jul 16, 2023Updated 3 years ago
- sports_science_data☆13Nov 22, 2024Updated last year
- A collection of notebooks in support of the publication "A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities E…☆26Oct 24, 2023Updated 3 years ago
- Rebasing graph networks paper☆12Oct 10, 2025Updated last year
- Machine learning for molecules workshop 2022☆13Nov 30, 2022Updated 3 years 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.
- End-to-end formally verified solvers for the isothermal Euler and full compressible Euler equations in 1D, 2D, and 3D.☆14Aug 10, 2026Updated 2 months ago
- ☆10May 30, 2022Updated 4 years ago
- Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.☆11May 16, 2025Updated last year
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- Towards Better Graph Representation Learning with Parameterized Decomposition & Filtering☆13Aug 22, 2023Updated 3 years ago
- ☆35Feb 12, 2025Updated last year
- Perl tools for automating routine tasks encountered when running quantum chemistry computations.☆10Jan 12, 2021Updated 5 years ago
- A small tool to help check NAT issues☆12Dec 4, 2018Updated 7 years ago
- Next Generation Decentralized Database☆15Nov 4, 2022Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- various useful documents☆14Jan 23, 2026Updated 9 months ago
- Simple Three.js animation mixer demo.☆13Mar 21, 2025Updated last year
- The simplest way to build long-horizon environments☆13Apr 8, 2026Updated 6 months ago
- Contains code and content output for assignments for the Uppsala University Mathematical Modelling of Football course.☆15Nov 15, 2020Updated 5 years ago
- This repository contains the data and scripts necessary to reproduce the results presented in the paper: **"Scalable molecular simulation…☆50Jun 2, 2024Updated 2 years ago
- A text-to-SQL prototype on the northwind sqlite dataset☆13Sep 24, 2024Updated 2 years ago
- An MCP-compatible server providing atomistic simulation capabilities through ASE, pymatgen, etc.☆12Oct 22, 2026Updated last week
- ☆14Apr 13, 2026Updated 6 months ago
- Demonstration application for LoRa Edge tracker reference design - compatible with LoRa Basics Modem-E☆19Oct 27, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Delta^2 ML model that takes GFN2-xTB level geometries and energies to provide DFT and G4-level energy prediction.☆12Jun 30, 2023Updated 3 years ago
- Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm☆11Jul 15, 2024Updated 2 years ago
- ☆10Jun 4, 2025Updated last year
- A Collection of Flood Hazard Layers for New York City.☆13Nov 21, 2023Updated 2 years ago
- Sample PDK for Superconducting RF Quantum Circuits☆36Updated this week
- Phonon Boltzmann Transport Equation☆52May 15, 2025Updated last year
- Stanford CS 269Q: Quantum Computer Programming☆17May 4, 2020Updated 6 years ago
- Crystal graph attention neural networks for materials prediction☆31Jul 18, 2023Updated 3 years ago
- Simplicial Representation Learning with Neural k-Forms☆15Mar 20, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Code review checklist for AI-generated code. Step through prompts, paste into your AI, fix issues, mark done. Progress saves per git bran…☆11Apr 1, 2026Updated 6 months ago
- DSPy: The framework for programming—not prompting—language models☆17Oct 4, 2026Updated 3 weeks ago
- ⚛️ 📱 The quickest way to utilize web dependencies inside React Native.☆13Oct 22, 2020Updated 6 years ago
- A general forcefield for phonon properties of metal-organic frameworks☆13Sep 13, 2020Updated 6 years ago
- LLM Power Tool, with experimental features such as audio transcription from ElevenLabs.☆15Jan 25, 2024Updated 2 years ago
- 👩🏭 Welding is a decentralized knowledge graph protocol for building and managing networks of research and documentation.☆13Jan 16, 2023Updated 3 years ago
- Source code of the paper "DeepGene: an advanced cancer type classifier based on deep learning and somatic point mutations"☆13Sep 7, 2017Updated 9 years ago