Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)
☆44May 3, 2020Updated 6 years ago
Alternatives and similar repositories for RAVE
Users that are interested in RAVE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automatic Mutual Information Noise Omission☆16Oct 8, 2024Updated last year
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 years ago
- ☆34May 31, 2023Updated 3 years ago
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated last year
- Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network☆44Jun 23, 2022Updated 4 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- ☆72Feb 13, 2026Updated 6 months ago
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆19Sep 12, 2023Updated 2 years ago
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆16Updated this week
- Main repository for METAGUI3☆22Jun 19, 2021Updated 5 years ago
- Statistical models for biomolecular dynamics☆44May 8, 2025Updated last year
- ☆11Oct 25, 2023Updated 2 years ago
- Learning free energy landscapes using artificial neural networks☆15Nov 30, 2017Updated 8 years ago
- Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.☆27Aug 15, 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.
- Repository of the data for PLUMED Masterclass 22.3☆15Jul 10, 2024Updated 2 years ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- the simple alchemistry test set☆10Nov 20, 2025Updated 9 months ago
- Program for robust fitting of bonded Molecular Mechanics parameters☆15Jun 30, 2015Updated 11 years ago
- ☆17Oct 30, 2023Updated 2 years ago
- ☆25Feb 28, 2023Updated 3 years ago
- ☆13Jul 11, 2023Updated 3 years ago
- ☆14Feb 28, 2022Updated 4 years ago
- ☆48Mar 7, 2026Updated 5 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison☆19Jun 6, 2023Updated 3 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆20Sep 2, 2022Updated 4 years ago
- Accelerated sampling framework with autoencoder-based method☆23Sep 7, 2019Updated 6 years ago
- Denoising diffusion probabilistic models for replica exchange☆24Feb 19, 2022Updated 4 years ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆93Jan 27, 2025Updated last year
- Generative backmapping of coarse-grained molecular systems using an equivariant graph neural network and flow-matching☆12Sep 17, 2025Updated 11 months ago
- Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials☆18Jun 9, 2021Updated 5 years ago
- Building more accurate protein structures from backbone torsion angles☆16Mar 21, 2025Updated last year
- Locally-Scaled Diffusion Maps, DM-d-MD☆12May 12, 2016Updated 10 years ago
- 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.
- Multi-Level DBSCAN: A Hierarchical Density-Based Clustering Method for Analyzing Molecular Dynamics Trajectories☆13Dec 6, 2020Updated 5 years ago
- Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"☆23Jun 6, 2024Updated 2 years ago
- Development version of plumed 2☆518Aug 27, 2026Updated last week
- python library for dimensionality reduction☆34Jul 6, 2026Updated last month
- C++ Accelerated Python Diffusion Maps Library☆24Aug 28, 2018Updated 8 years ago
- ☆13Jul 17, 2025Updated last year
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago