☆18Sep 29, 2021Updated 4 years ago
Alternatives and similar repositories for gnn-for-glass
Users that are interested in gnn-for-glass are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Machine Learning Package Targeted for Amorphous Materials.☆20Feb 19, 2021Updated 5 years ago
- Modified Pytorch Lightning implementation of paper:-https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-019-0407-y☆10Dec 22, 2020Updated 5 years ago
- ☆15Jun 28, 2022Updated 3 years ago
- The Topological Cluster Classification algorithm☆15Apr 10, 2026Updated 2 months ago
- GGP Matlab code☆14Apr 28, 2020Updated 6 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.
- 2D and 3D Voronoi tessellations: a python entry point for the voro++ library☆129Apr 20, 2024Updated 2 years ago
- A Graph Attention Spatio-temporal Convolutional Networks for 3D Human Pose Estimation in Video (GAST-Net)☆14Dec 2, 2020Updated 5 years ago
- RipsNet: a general architecture for fast and robust estimation of the persistent homology of point clouds☆23Feb 4, 2022Updated 4 years ago
- All the codes and data used in "Inverse design of soft materials via a deep-learning-based evolutionary strategy", by G. M. Coli, E. Boat…☆11Oct 26, 2021Updated 4 years ago
- A code for calculating MBTR molecule/crystal structure representation. (https://doi.org/10.1088/2632-2153/aca005)☆14Nov 15, 2022Updated 3 years ago
- SPIRO is a Smart Plate Imaging Robot☆11May 20, 2026Updated 3 weeks ago
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆69Mar 24, 2023Updated 3 years ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆31Sep 28, 2020Updated 5 years ago
- A generative model of compositionality in symmetric monoidal (Kleisli) categories☆12Oct 4, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆15Feb 17, 2019Updated 7 years ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆31Aug 9, 2022Updated 3 years ago
- ☆12Jun 26, 2023Updated 2 years ago
- A Python library for controlling various robot arms using a common interface☆22May 18, 2023Updated 3 years ago
- ☆13May 16, 2023Updated 3 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Oct 14, 2021Updated 4 years ago
- VK Beamer Presentation Template☆11Jan 17, 2021Updated 5 years ago
- Efficient Learning of Message Passing Neural Networks for Molecular Property Production☆18Feb 23, 2020Updated 6 years ago
- Automating Slurm job generation.☆15Aug 16, 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.
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- Mechsys is a open source template-based library for the simulation of complex mechanical systems. Methods programmed within Mechsys inclu…☆19Jan 5, 2026Updated 5 months ago
- Swarts Lab CNN stuff☆14Jun 10, 2026Updated last week
- Python module for scientists working with glass materials☆39May 26, 2026Updated 3 weeks ago
- polygon (ring network) discovery from XYZ files☆11Jun 21, 2016Updated 9 years ago
- Smith Normal Form calculator for integers and gaussian integers☆15Feb 25, 2023Updated 3 years ago
- The database contains a vast set of data on the properties of glass materials.☆16Aug 27, 2023Updated 2 years ago
- ☆22Feb 10, 2023Updated 3 years ago
- Lowering PyTorch's Memory Consumption for Selective Differentiation☆12Aug 29, 2024Updated last year
- 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.
- A Python/Fortran order parameter analysis library☆14Dec 22, 2020Updated 5 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- Code base for the graph neural network-based polygrain microstructure property prediction project☆50May 27, 2022Updated 4 years ago
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆21Updated this week
- Open Resources For network embedding☆15Feb 24, 2020Updated 6 years ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆19Nov 28, 2023Updated 2 years ago
- Code for "Symplectic Adjoint Method for Exact Gradient of Neural ODE with Minimal Memory," NeurIPS, 2021.☆18Jan 8, 2022Updated 4 years ago