InvDesFlow for the inverse design of high-temperature superconducting materials, integrating generative models, stability models, superconducting classification models, and critical temperature prediction models, along with the associated data. Related paper: AI-accelerated discovery of high critical temperature superconductors.
☆20Apr 8, 2026Updated 4 months ago
Alternatives and similar repositories for InvDesFlow
Users that are interested in InvDesFlow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆32Dec 30, 2025Updated 8 months ago
- PhononBench is a phonon-based benchmark for large-scale dynamical stability evaluation of AI-generated crystals, featuring 100k+ structur…☆38May 29, 2026Updated 3 months ago
- ☆23Apr 5, 2025Updated last year
- The code used and calculations performed for the video https://youtu.be/x3-Y6jL3yjQ☆14May 25, 2025Updated last year
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆20Aug 14, 2026Updated 2 weeks 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.
- ☆36Oct 24, 2025Updated 10 months ago
- ☆14Apr 9, 2025Updated last year
- Convolutional neural net to classify states of the classical Ising gauge theory (TensorFlow)☆10May 10, 2016Updated 10 years ago
- ☆12May 13, 2023Updated 3 years ago
- This is a visualization of a Quantum bit (Qubit) and several Quantum gates using a Bloch Sphere. Quantum gates are transformations to a q…☆10Apr 26, 2019Updated 7 years ago
- draw arbitrary shapes using rotating circles☆21May 18, 2023Updated 3 years ago
- A package for creating a matrix product state (MPS) from a free fermion (Gaussian) state.☆10Dec 6, 2021Updated 4 years ago
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆15Jun 9, 2023Updated 3 years ago
- ☆11Apr 27, 2023Updated 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.
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆13May 5, 2025Updated last year
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Reinforcement Learning for Improving Chemical Reaction Performance☆14Aug 26, 2025Updated last year
- QMCPACK Users Workshop 2019☆14May 24, 2019Updated 7 years ago
- A code for generating irreducible site-occupancy configurations☆55Dec 19, 2023Updated 2 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆21Jul 18, 2020Updated 6 years ago
- ☆10Jun 30, 2022Updated 4 years ago
- FDMNES☆11Jan 28, 2021Updated 5 years ago
- ☆22Feb 6, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Tutorial materials for the lecture course "Tensor Networks" in the 2022 fall semester of Seoul National University.☆26Mar 11, 2025Updated last year
- ☆13Updated this week
- The codes calculate energy spectrum, Chern number, particle partition entanglement and quantum metric of the band of the twisted bilayer …☆14Oct 27, 2024Updated last year
- The Jacobi Davison diagonalization, python interface with fortran underlying.☆12Mar 25, 2019Updated 7 years ago
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆16Aug 3, 2026Updated last month
- Notebook for illustrating the use of CMPSKit.jl and to reproduce the results from arXiv:2006.01801.☆13Nov 9, 2021Updated 4 years ago
- A command line and python toolkit featured artificial intelligence × ab initio for complex chemistry systems research.☆97Aug 16, 2026Updated 2 weeks ago
- ☆11Nov 10, 2020Updated 5 years ago
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 6 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.
- This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.☆13Mar 11, 2025Updated last year
- ☆13Oct 23, 2022Updated 3 years ago
- A collection of workflows that are built with DFlow.☆11May 13, 2024Updated 2 years ago
- 北京大学物理化学实验报告写作的参考模板。☆10Jan 10, 2021Updated 5 years ago
- 🏹 For using Julia without internet access 🏰☆13Sep 13, 2023Updated 2 years ago
- Apply DMRG to continuous systems☆12Nov 28, 2021Updated 4 years ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 8 months ago