A machine learning model for the prediction of charge density.
☆14Aug 24, 2024Updated last year
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:
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated last year
- Robust NN MD simulator☆21Aug 3, 2023Updated 2 years ago
- An OSC server to interact with different music-generating ML models☆12Jan 23, 2022Updated 4 years ago
- Machine learning for molecules workshop 2022☆13Nov 30, 2022Updated 3 years ago
- Practical guide on how to use VASP☆27Jul 14, 2020Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Official Pytorch implementation of Chromatic Graph Transformers☆10Jun 14, 2023Updated 2 years ago
- X-Cell: a diffusion language model for genome-scale perturbation prediction☆79Mar 16, 2026Updated last month
- Towards Better Graph Representation Learning with Parameterized Decomposition & Filtering☆13Aug 22, 2023Updated 2 years ago
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- Stanford CS 269Q: Quantum Computer Programming☆16May 4, 2020Updated 5 years ago
- Bayesian Nonparametric Mixture Models in Julia☆14Oct 25, 2017Updated 8 years ago
- ☆34Feb 12, 2025Updated last year
- Contains code and content output for assignments for the Uppsala University Mathematical Modelling of Football course.☆14Nov 15, 2020Updated 5 years ago
- g2-MLP: State-of-the-Art Model for Node Classification on Graphs (PPI Dataset)☆10Nov 12, 2022Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- This repository contains the data and scripts necessary to reproduce the results presented in the paper: **"Scalable molecular simulation…☆49Jun 2, 2024Updated last year
- alternative way to calculating self attention☆18May 25, 2024Updated last year
- A general forcefield for phonon properties of metal-organic frameworks☆13Sep 13, 2020Updated 5 years ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- Module for processing and plotting electrochemical data from battery cyclers. Contains functions to extract dQ/dV.☆17Apr 15, 2026Updated 2 weeks ago
- Crystal graph attention neural networks for materials prediction☆31Jul 18, 2023Updated 2 years ago
- sports_science_data☆13Nov 22, 2024Updated last year
- ☆11Dec 23, 2023Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆16May 19, 2025Updated 11 months ago
- Extended XYZ read/write support for Julia☆18Dec 3, 2024Updated last year
- ORB forcefield models from Orbital Materials☆571Mar 18, 2026Updated last month
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- ☆15Feb 26, 2024Updated 2 years ago
- Heterogeneous relational message passing networks (HermNet)☆14Oct 10, 2022Updated 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 8 years ago
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 2 years ago
- Statistical models to predict new materials☆14May 9, 2023Updated 2 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.
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆47Jan 21, 2026Updated 3 months ago
- Shared repo for trajectory analysis and infrastructure development☆23Feb 21, 2024Updated 2 years ago
- ☆17Sep 17, 2025Updated 7 months ago
- ☆14Sep 7, 2024Updated last year
- Security related data and information for all aspects of Grin☆14Aug 2, 2021Updated 4 years ago
- ☆26Jul 30, 2025Updated 9 months ago
- Materials for a tutorial on Battery Data Science and MRS SP22☆15May 8, 2022Updated 3 years ago