A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Boulder
☆26Sep 21, 2022Updated 4 years ago
Alternatives and similar repositories for boltzmann_generators
Users that are interested in boltzmann_generators are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆14Feb 20, 2023Updated 3 years ago
- A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling metho…☆25Sep 26, 2024Updated 2 years ago
- Machine learning package for data-driven modeling and simulation of particle systems, materials, and complex fluids (interfaces with LAMM…☆10Apr 7, 2026Updated 6 months ago
- Boltzmann Generators and Normalizing Flows in PyTorch☆202Jan 30, 2024Updated 2 years ago
- A Python wrapper around Bacting (https://github.com/BlueObelisk/bacting)☆12Apr 24, 2026Updated 6 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A python package for performing GROMACS simulation ensembles☆22Jul 12, 2026Updated 3 months ago
- Implementation of data dimensionality reduction algorithms SVD and CUR without using library functions.☆10Jul 24, 2017Updated 9 years ago
- A conda-smithy repository for ambertools.☆13Jul 15, 2026Updated 3 months ago
- Code for "Enhancing Materials Discovery with Valence Constrained Design in Generative Modeling"☆13Apr 2, 2026Updated 6 months ago
- Code for reviewers☆12Oct 8, 2024Updated 2 years ago
- ☆12May 12, 2023Updated 3 years ago
- Calculation of vibrational spectra with quantum nuclear motion☆14Sep 18, 2024Updated 2 years ago
- Best Practices article (intended for LiveCoMS) treating simulation software validation and physical validation☆10Dec 11, 2017Updated 8 years ago
- ☆94Dec 6, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Physics Derivation Graph: mathematical connections among equations☆21Jul 25, 2026Updated 3 months ago
- A NumPy implementation of Lee et al., Deep Neural Networks as Gaussian Processes, 2018☆17Mar 24, 2021Updated 5 years ago
- An introductory workshop to protein language models☆18May 24, 2022Updated 4 years ago
- A python class for building a ZMatrix from a RDKit molecule. We can also do coordinate transformations between ZMatrix and Cartesian spac…☆15Jun 19, 2023Updated 3 years ago
- IUPAC SMILES+ Specification☆43Dec 12, 2023Updated 2 years ago
- protein structure prediction with precision☆29May 14, 2024Updated 2 years ago
- Next generation machine learning force field on enzymatic catalysis☆19Oct 24, 2026Updated last week
- Molecular mechanics systems and simulation data☆20Jun 3, 2024Updated 2 years ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- 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.
- Compare optimized geometries and energies from various force fields with respect to a QM reference.☆14Apr 19, 2021Updated 5 years ago
- Repository for MD methods and analysis from submitted or published work☆20Jun 10, 2023Updated 3 years ago
- Implementation of methods to sample from Boltzmann distributions☆22Jan 24, 2023Updated 3 years ago
- Codes and tutorials on thermodynamics and statistical physics☆17Jul 6, 2023Updated 3 years ago
- Python course designed for grad students of the Physics & Astronomy department of the University of Western Ontario.☆12Mar 8, 2023Updated 3 years ago
- ☆57Updated this week
- ☆18Sep 29, 2026Updated last month
- ☆31Aug 21, 2023Updated 3 years ago
- A Python package for multipole expansions of electrostatic or gravitational potentials☆46Oct 22, 2026Updated last 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.
- Python package for NN generation from physics☆16Mar 25, 2023Updated 3 years ago
- Pure python statistic tools for high energy physics.☆21Nov 12, 2019Updated 6 years ago
- Map atomistic trajectories to CG Martini level fast and compute interactions☆17Updated this week
- ☆30Oct 17, 2024Updated 2 years ago
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- A simulation framework for nonequilibrium statistical physics☆11Jul 30, 2024Updated 2 years ago
- KITP tutorial codes for Active Brownian Particles☆19Oct 27, 2025Updated last year