☆14Jun 11, 2024Updated 2 years ago
Alternatives and similar repositories for masterclass-plumed
Users that are interested in masterclass-plumed are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Repository of the data for PLUMED Masterclass 22.3☆15Jul 10, 2024Updated 2 years ago
- Educational Notes on Molecular Modeling☆13Nov 19, 2020Updated 5 years ago
- Collective variables by artificial neural networks☆11Mar 16, 2022Updated 4 years ago
- ☆17Jul 28, 2022Updated 3 years ago
- A tutorials suite for BioSimSpace.☆37Oct 22, 2025Updated 9 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Using neural networks for enhanced sampling in computational biophysics☆16Aug 17, 2017Updated 8 years ago
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆16Updated this week
- A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling metho…☆24Sep 26, 2024Updated last year
- Rethinking Metadynamics: From Bias Potentials to Probability Distributions☆15Sep 18, 2023Updated 2 years ago
- Exploratory work on free energy calculations with GROMACS using "separated topologies" approach (Rocklin et al., 2013).☆29Dec 4, 2024Updated last year
- Free Parametrization for Small Molecules☆66Jun 30, 2026Updated 3 weeks ago
- Notebooks for NYU Statistical Mechanics☆20Jul 6, 2023Updated 3 years ago
- Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"☆23Jun 6, 2024Updated 2 years ago
- The App Store for VMD extensions.☆14Jan 14, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆16Apr 3, 2026Updated 3 months ago
- Automated construction of protein chimeras and their analysis.☆15Sep 29, 2023Updated 2 years ago
- ☆14Sep 18, 2023Updated 2 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- design by evolutionary algorithm☆23Updated this week
- Collective variables library for molecular simulation and analysis programs☆241Updated this week
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆22Jun 6, 2024Updated 2 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.
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Jan 29, 2015Updated 11 years ago
- Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week☆31Sep 27, 2023Updated 2 years ago
- Materials, issues and things for the 2018 Workshop and Hackathon☆14Jul 25, 2025Updated 11 months ago
- Enhanced sampling methods for molecular dynamics simulations☆45Dec 16, 2022Updated 3 years ago
- Machine learning for molecular dynamics☆13Jan 9, 2025Updated last year
- Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.☆27Aug 15, 2024Updated last year
- Workshop - Analysis of Molecular Dynamics Simulation Using Python☆20Aug 14, 2020Updated 5 years ago
- ☆18Jan 15, 2026Updated 6 months ago
- Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling☆43May 1, 2023Updated 3 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.
- OpenMM tutorial for the MSBS course☆193Mar 19, 2026Updated 4 months ago
- Learning free energy landscapes using artificial neural networks☆15Nov 30, 2017Updated 8 years ago
- ☆14May 13, 2020Updated 6 years ago
- ☆21Updated this week
- ☆35Updated this week
- Some of useful tcl scripts to analyse data from VMD☆15Aug 2, 2022Updated 3 years ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆35Jan 6, 2026Updated 6 months ago