Implementation of BFGS within Python
☆24Apr 2, 2020Updated 6 years ago
Alternatives and similar repositories for bfgs
Users that are interested in bfgs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK☆25Dec 31, 2025Updated 3 months ago
- ☆10Jun 30, 2022Updated 3 years ago
- A library to align rigid molecules and clusters☆12Mar 17, 2026Updated 3 weeks ago
- Tight-Binding Modeling for Materials at Mesoscale☆14Jan 19, 2018Updated 8 years ago
- Patched rtl88xxau drivers for wifibroadcast☆11Jan 24, 2026Updated 2 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Numerical experiments on Jacobi SVD algorithm☆10Jun 3, 2018Updated 7 years ago
- This is the code for "Neural Network Reconstruction of Plasma Space-Time" by C.Bard and J.Dorelli (DOI: 10.3389/fspas.2021.732275). It is…☆13Oct 6, 2021Updated 4 years ago
- Gauss-Newton solver implemented from scratch.☆13Jun 22, 2022Updated 3 years ago
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆11Oct 2, 2025Updated 6 months ago
- ThereminQ CLassiQ - QuantOPS : Orchestrate Qrack, Bonsai, Qimcifa and Tipsy in OpenCL, VCL and CUDA with an X WebUI☆13Jan 10, 2026Updated 3 months ago
- A package to read NumPy .npy files using Mathematica and the Wolfram Language☆13Sep 30, 2020Updated 5 years ago
- Sky-MoCa Skyrmion - Monte Carlo: Simulated annealing for a 3D spin lattice in Julia☆14Jul 4, 2019Updated 6 years ago
- Discovering Differential Equations with Physics-Informed Neural Networks and Symbolic Regression☆11Jul 28, 2023Updated 2 years ago
- Interface between Openfermion and Dirac to perform relativistic quantum chemistry calculations simulated on a quantum computer☆14Aug 12, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A design optimization study of underwater vehicle using Bayesian optimization and deep learning based surrogate model☆13Mar 13, 2023Updated 3 years ago
- Fortran pre-processor☆19Jan 27, 2026Updated 2 months ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- Plane Wave Density Functional Theory Code for the GPU☆12Jan 23, 2015Updated 11 years ago
- Machine Learning-based Second-order Analysis of Beam-columns through Physics-Informed Neural Networks☆15Feb 18, 2025Updated last year
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 6 years ago
- Hex encode & decode a string, right from your terminal.☆10Jan 5, 2023Updated 3 years ago
- general I/O interface for NetCDF, HDF4, HDF5 of fortran90 language☆11Mar 18, 2026Updated 3 weeks ago
- SURF MPS iimplementation for all GPU's in a node☆11Apr 13, 2022Updated 4 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆16Jan 22, 2024Updated 2 years ago
- do some exercise☆14Dec 2, 2025Updated 4 months ago
- A poor man's density functional theory program☆14Updated this week
- Studying projects☆10Jun 14, 2021Updated 4 years ago
- Simple small molecular docking and conformation filtering tool.☆13Apr 8, 2026Updated last week
- The repository targets the OpenCL gemm function performance optimization. It compares several libraries clBLAS, clBLAST, MIOpenGemm, Inte…☆17Mar 28, 2019Updated 7 years ago
- Opensource software to model heterogeneous catalytic reactions. Based on Cantera☆19Jan 18, 2024Updated 2 years ago
- gradient-descent is a package that contains different gradient-based algorithms. The package purpose is to facilitate the user experience…☆10Jul 20, 2024Updated last year
- mirrored from https://gitlab.com/ccp5/dl-poly/☆12Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆19Feb 20, 2022Updated 4 years ago
- Codebase for Master's dissertation in Mathematics at Durham University. Topic: applying neural networks to differential equations. Grade:…☆17Aug 17, 2023Updated 2 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Jan 27, 2022Updated 4 years ago
- Genetic Algorithm for Neural Network Architecture and Hyperparameter Optimization and Neural Network Weight Optimization with Genetic Alg…☆14Mar 28, 2019Updated 7 years ago
- Implementation of the tetrahedron method for Brillouin zone summation☆12Jan 12, 2017Updated 9 years ago
- AeroFlex is a MATLAB toolbox for studying the flight dynamics of highly flexible airplanes.☆16Jun 21, 2025Updated 9 months ago
- A simple framework that automatically generates SU2 configuration (.cfg) files and make calls to SU2 to perform aeroelastic simulations a…☆12Jan 16, 2022Updated 4 years ago