☆21Dec 30, 2025Updated 2 months ago
Alternatives and similar repositories for summer2022
Users that are interested in summer2022 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆12Oct 7, 2019Updated 6 years ago
- Sensitivity Analysis in Python - Gradient DataFrames and Hex-Bin Plots☆15Feb 11, 2023Updated 3 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆15Jul 20, 2024Updated last year
- Sparse Gaussian Process Potentials☆28Sep 29, 2025Updated 5 months ago
- A quantum operator algebra domain-specific language and exact diagonalization toolkit for C++11/14/17☆24Jan 2, 2026Updated 2 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆19Dec 2, 2025Updated 3 months ago
- Your AI is smart, but does it know you? Don't build just Agents. Build Identities.☆33Feb 9, 2026Updated last month
- Deep Learning section of the Algorithms in Machine Learning class at ISAE-Supaero☆22Jan 5, 2026Updated 2 months ago
- Basic programs for generating Slater-Koster files for the DFTB-method☆28Feb 6, 2025Updated last year
- ☆11Jan 3, 2024Updated 2 years ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆25Jan 4, 2026Updated 2 months ago
- My thesis project☆10Jun 7, 2021Updated 4 years ago
- This is the Pytorch implementation of paper--Training deep neural-networks using a noise adaptation layer.☆10Apr 18, 2021Updated 4 years ago
- Variational Autoencoder (VAE)-like neural network to solve ideal MHD equilibrium in a tokamak☆11May 20, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- A library of density matrix embedding theory (DMET).☆38Jan 26, 2025Updated last year
- XRay Estimation and Refinement Using Similarity (XERUS)☆37Sep 26, 2025Updated 6 months ago
- The code enables to perform Bayesian inference in an efficient manner through the use of Hamiltonian Neural Networks (HNNs), Deep Neural …☆17Jan 14, 2023Updated 3 years ago
- A Python multigrid solver implementation for education.☆20May 11, 2015Updated 10 years ago
- A comprehensive Model Context Protocol (MCP) server for accessing the PubChem chemical database. This server provides access to over 110 …☆36Dec 21, 2025Updated 3 months ago
- course material for the "Notebooks to Scripts to Packages" workshop as part of Princeton Wintersession 2023☆15Jan 17, 2024Updated 2 years ago
- A matrix-product-operators solver for the dynamics of interacting qubits modeled by a Lindblad master equation, written in C++ and wrappe…☆45Aug 25, 2025Updated 7 months ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆48Oct 2, 2020Updated 5 years ago
- Riemannian optimization on the symplectic Stiefel manifold☆13Nov 18, 2022Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Supporting codes for the numerical implementations in the paper "Operator inference for non-intrusive model reduction with quadratic mani…☆12Aug 18, 2022Updated 3 years ago
- Read and write the popular "geqdsk" and "aeqdsk" tokamak equilibrium file formats☆18Feb 20, 2025Updated last year
- Sparse Identification of Nonlinear Dynamics for Boundary Value Problems☆13Apr 10, 2021Updated 4 years ago
- Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning☆19Jul 6, 2023Updated 2 years ago
- A modular code for teaching Surrogate Modeling-Based Optimization☆34Apr 13, 2020Updated 5 years ago
- ChemBERTa-3 Repo☆47Jan 9, 2026Updated 2 months ago
- ProtGraph - A Graph-Generator for Proteins☆13Mar 4, 2026Updated 3 weeks ago
- Exact diagonalization, Lehmann's representation, Two-particle Green's functions☆50Jan 4, 2026Updated 2 months ago
- The Molecular Modelling Toolkit☆54Apr 11, 2025Updated 11 months ago
- 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.
- Solving the heat diffusion equation on a grid using OpenMP and MPI☆12Dec 9, 2014Updated 11 years ago
- How certain is your transformer?☆25Apr 25, 2021Updated 4 years ago
- Plugin for folding sequences directly in PyMOL☆28Aug 5, 2025Updated 7 months ago
- Offline Contextual Bayesian Optimization☆14Jul 20, 2023Updated 2 years ago
- DeepAgent 기반 Research(연구) Multi Agent System 구축 - Context Engineering☆46Jan 13, 2026Updated 2 months ago
- ☆15Oct 28, 2020Updated 5 years ago
- In this work, we present a novel approach that combines the power of Koopman operators and deep neural networks to generate a linear rep…☆11Dec 1, 2025Updated 3 months ago