Nomalizing flows for orbita-free DFT
☆11Sep 20, 2024Updated last year
Alternatives and similar repositories for ofdft_nflows
Users that are interested in ofdft_nflows are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Mar 3, 2026Updated 2 months ago
- PyTorch-based auto-differentiable orbital-free density functional theory package☆12Mar 19, 2024Updated 2 years ago
- Script for generating the Many Body Distribution Functionals and Density of Functionals representations☆14Jan 28, 2025Updated last year
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆67Apr 18, 2025Updated last year
- Dump a quantum circuit in Yao to a tensor network graphical model☆11Dec 11, 2020Updated 5 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Python package to heuristically solve optimization problems on quasi-2d lattices using approximate tensor network contractions.☆12Sep 24, 2021Updated 4 years ago
- A JAX-based Differentiable Density Functional Theory Framework for Materials☆49Apr 20, 2026Updated last month
- Autoregressive model for solving statistical mechanics problems☆11Mar 19, 2021Updated 5 years ago
- TPS Tutorial FOR1807☆10Feb 22, 2018Updated 8 years ago
- A Universal Neural Network Solver for The Schrödinger Equation☆11Dec 3, 2024Updated last year
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Feb 14, 2024Updated 2 years ago
- ☆15Dec 28, 2020Updated 5 years ago
- simple visualization of molecules in python☆14Mar 20, 2023Updated 3 years ago
- Ab-initio simulation of interacting fermions with equivariant normalizing flow.☆34Oct 23, 2022Updated 3 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.
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆26May 4, 2026Updated 2 weeks ago
- Get access to our MD data files.☆32Nov 22, 2023Updated 2 years ago
- Calculate observables from neural network-based VMC (NN-VMC).☆18Apr 16, 2025Updated last year
- Pure C implementation of e3nn☆25Mar 17, 2025Updated last year
- Variational Walkback, NIPS'17☆28Oct 18, 2017Updated 8 years ago
- MESS: Modern Electronic Structure Simulations☆43May 9, 2026Updated last week
- Code to reproduce the results of 👇☆18Aug 19, 2022Updated 3 years ago
- A collection of lectures and tutorials☆25Jun 14, 2024Updated last year
- Can you solve all the puzzles in this repo? Master Julia in an easy way!☆22Sep 20, 2022Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- MPS in Julia minicourse☆19Oct 13, 2017Updated 8 years ago
- Code for paper https://arxiv.org/abs/2306.07961☆53May 7, 2026Updated last week
- Multi-Head Attention, Transformer, Perceiver, Linear Attention.☆12Oct 24, 2023Updated 2 years ago
- ☆23Nov 8, 2022Updated 3 years ago
- Library for Crystal Symmetry in Rust☆73Updated this week
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆25Mar 22, 2024Updated 2 years ago
- ☆28Jan 12, 2022Updated 4 years ago
- Fitting potential energy surface using monomial symmetrization approach☆15Aug 13, 2025Updated 9 months ago
- Minicourse on Machine Learning for Many-Body Physics, Sept 25 – 29, 2017 São Paulo, Brazil☆21Sep 28, 2017Updated 8 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A tool for visualizing tensor network contractions.☆21Dec 6, 2021Updated 4 years ago
- (NeurIPS 2022) Fast Bayesian Inference with Batch Bayesian Quadrature via Kernel Recombination☆19Nov 16, 2023Updated 2 years ago
- ☆50Mar 27, 2026Updated last month
- A differentiation API for PyTorch☆30Jun 21, 2020Updated 5 years ago
- rid☆25Aug 15, 2021Updated 4 years ago
- Erwin: A Tree-based Hierarchical Transformer for Large-scale Physical Systems [ICML'25]☆117Oct 11, 2025Updated 7 months ago
- Solving Quantum Statistical Mechanics with Variational Autoregressive Networks and Quantum Circuits☆36Jan 29, 2024Updated 2 years ago