A Universal Neural Network Solver for The Schrödinger Equation
☆12Oct 3, 2026Updated last week
Alternatives and similar repositories for SchrodingerNet
Users that are interested in SchrodingerNet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fitting potential energy surface using monomial symmetrization approach☆15Aug 13, 2025Updated last year
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Sep 21, 2022Updated 4 years ago
- Calculate observables from neural network-based VMC (NN-VMC).☆19Apr 16, 2025Updated last year
- Python library for real space quantum Monte Carlo☆101Aug 27, 2026Updated last month
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- 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.
- Nomalizing flows for orbita-free DFT☆12Sep 20, 2024Updated 2 years ago
- ☆27Jul 30, 2025Updated last year
- A general purpose library to study vibrational problems using diffusion monte carlo☆17May 21, 2026Updated 4 months ago
- add the influence of external field to REANN model☆33Sep 20, 2024Updated 2 years ago
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆34Jun 14, 2024Updated 2 years ago
- ☆15Aug 3, 2026Updated 2 months ago
- For advanced physics-driven combined with neural network enhancement force field.☆19Mar 9, 2026Updated 7 months ago
- A Chrome extension to add Sci-HUB or Lib-Gen download icons to every DOI-link on the page, with various other small changes to make scien…☆20Oct 9, 2023Updated 3 years ago
- PyTorch-based auto-differentiable orbital-free density functional theory package☆12Aug 7, 2026Updated 2 months 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.
- Deep learning quantum Monte Carlo for electrons in real space☆423Updated this week
- ☆23Apr 16, 2022Updated 4 years ago
- A library combining solid quantum Monte Carlo and neural network.☆54Dec 10, 2024Updated last year
- (NeurIPS 2022) Fast Bayesian Inference with Batch Bayesian Quadrature via Kernel Recombination☆19Nov 16, 2023Updated 2 years ago
- This is a python module that solves one-dimensional potentials using a discrete variable representation method.☆12Jul 25, 2022Updated 4 years ago
- Code for the article "Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning" https://arxiv.org/abs/250…☆18Sep 7, 2025Updated last year
- ☆50Mar 27, 2026Updated 6 months ago
- Inputs and hand-outs for a PIMD tutorial based on i-PI☆15Jun 29, 2018Updated 8 years ago
- optking: A molecular geometry optimization program☆27Jun 1, 2026Updated 4 months 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.
- PySCF with auto-differentiation☆116Updated this week
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆61Oct 1, 2026Updated last week
- Pretrained model for molecular wavefunctions☆67Aug 24, 2026Updated last month
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- Crop sheet music images fast! | 乐谱裁剪神器！| Programmed by Ji-Woon SIM (Tsinghua University), Concepted by Wenge CHEN (Xinghai Conservatory o…☆17Aug 21, 2021Updated 5 years ago
- Pytorch implementation of KFAC - this is a port of https://github.com/tensorflow/kfac/☆33Jun 6, 2024Updated 2 years ago
- Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems☆30May 13, 2025Updated last year
- ☆12Apr 16, 2018Updated 8 years ago
- A program for the analysis of NMR data.☆31Jun 23, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Yixuan Wang's personal blog.☆14Jul 31, 2026Updated 2 months ago
- A LaTeX template for NSERC Discovery Grant applications☆29Feb 17, 2022Updated 4 years ago
- docker openconnect proxy☆11Feb 3, 2021Updated 5 years ago
- 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
- A tool to generate BibTeX files from given identifiers (DOI, PMID, or arXiv ID).☆17Oct 5, 2026Updated last week
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆109Oct 6, 2026Updated last week