HamLeT: Hamiltonian Learning Toolkit for simulated and experimental data
☆46Sep 17, 2026Updated last month
Alternatives and similar repositories for hamlet-toolkit
Users that are interested in hamlet-toolkit are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- BEER - Biophysical Evaluation Engine for Residues☆13Updated this week
- Residue Interaction Network ResidUe Selector☆16Jul 21, 2026Updated 3 months ago
- A simple molecular dynamics code for a Lennard-Jones system written in Python☆24Mar 19, 2026Updated 7 months ago
- ☆24Oct 8, 2026Updated last month
- Python script to visualize helical wheels based on input sequence.☆11Mar 27, 2019Updated 7 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 comprehensive tool that automates the extraction of global and local cDFT descriptors using Multiwfn.☆19Mar 24, 2026Updated 7 months ago
- Reimplementing nano gpt from scratch☆17Jul 10, 2026Updated 4 months ago
- This code completes a tutorial about gaussian mixture models (gmm) in python using scikit-learn☆16May 4, 2021Updated 5 years ago
- FIRECODE: a computational chemistry workflow driver and modular hub☆23Aug 19, 2026Updated 2 months ago
- Resources for and by the #codingForChemists Discord community!☆10Jun 18, 2023Updated 3 years ago
- A Physics-Informed Neural Network (PINN) framework for solving partial differential equations (PDEs) with FastAPI integration. This proje…☆15Apr 18, 2025Updated last year
- Code repository for the FART series of models.☆17Jul 14, 2026Updated 3 months ago
- Empirical observability of individual state variables with BOUNDS: Bounding Observability for Uncertain Nonlinear Dynamic Systems.☆12Oct 7, 2026Updated last month
- ☆10Jan 12, 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.
- Differentiable generalized eigensolver in JAX. Extracted from PYSCFAD implementation.☆28Jun 5, 2026Updated 5 months ago
- Collection of beginner-friendly Jupyter notebooks for learning PyTorch.☆13Jul 7, 2026Updated 4 months ago
- Many-body dispersion library☆13Sep 16, 2026Updated last month
- ☆11Dec 8, 2022Updated 3 years ago
- Implemenations of PAE in pytorch☆12Dec 20, 2022Updated 3 years ago
- A tutorial code to perform Monte Carlo simulations of patchy particles☆14Dec 1, 2025Updated 11 months ago
- ☆12Aug 26, 2026Updated 2 months ago
- Molecular dynamics simulations in Python and Cython. Simulates Lennard-Jones particles in the NVE ensemble using the Verlet method and hi…☆12Jun 2, 2015Updated 11 years ago
- Qiskit C++ is an opensource interface to quantum centric supercomputing, compatible interface to Qiskit in C++☆41Updated this week
- 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.
- Adopt-A-CivicArt project collaboration with the County Arts Commission☆10May 1, 2019Updated 7 years ago
- PRIMoRDiA 1.0v source repository, executable built for Linux x86_64 machines and user guide☆17Oct 18, 2023Updated 3 years ago
- Code accompanying the paper: Amino Acid Composition drives Peptide Aggregation: Predicting Aggregation for Improved Synthesis☆14Feb 18, 2025Updated last year
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 9 years ago
- ☆10Dec 27, 2019Updated 6 years ago
- ☆15Jul 26, 2026Updated 3 months ago
- An easy-to-use, quick and "to the point" cheat sheet of the important definitions and theorems found within differential geometry, for us…☆11Jun 23, 2025Updated last year
- Examples for the freud library.☆15Updated this week
- Some C++ code for basic Molecular Dynamics simulations.☆12Sep 12, 2018Updated 8 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A Python program for creating energy profile.☆15Nov 10, 2023Updated 3 years ago
- Energy Based Models are a quite novel technique for density estimation. In this university project I explore this new research topic and …☆16Jul 6, 2021Updated 5 years ago
- Official implementation of "Rigidity-Aware Geometric Pretraining for Protein Design and Conformational Ensembles" (ICLR 2026)☆20Mar 16, 2026Updated 7 months ago
- A Neural Network library coded from scratch.☆15Nov 12, 2020Updated 6 years ago
- cachecache: supercharge your Python functions with flexible, runtime-configurable caching!☆13Sep 20, 2026Updated last month
- Supplementary material of the textbook "deep learning in computational mechanics" including freely usable exercises, demos and slides☆47Nov 1, 2026Updated last week
- Repository for the Hands On Material of the Course "Physics Informed Neural Network" offered at the University of Bolzano for the Academi…☆12Oct 23, 2026Updated 2 weeks ago
Are these results useful?