☆19Jul 26, 2024Updated last year
Alternatives and similar repositories for fast
Users that are interested in fast are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Robust and stable clustering of molecular dynamics simulation trajectories.☆20Sep 2, 2022Updated 3 years ago
- A python module to plot secondary structure schemes☆26Mar 18, 2026Updated 3 months ago
- Examples and data for performing path similarity analysis (PSA).☆18Oct 23, 2015Updated 10 years ago
- ☆32Oct 19, 2023Updated 2 years ago
- A molecular dynamics simulation of liquid argon using a Lennard-Jones potential.☆14Aug 29, 2023Updated 2 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.
- Computation of the drug-target relative residence times from RAMD simulations☆23Aug 29, 2024Updated last year
- ☆25Feb 28, 2023Updated 3 years ago
- ☆13Apr 11, 2018Updated 8 years ago
- Multi-Level DBSCAN: A Hierarchical Density-Based Clustering Method for Analyzing Molecular Dynamics Trajectories☆13Dec 6, 2020Updated 5 years ago
- ☆18Oct 30, 2023Updated 2 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆37Mar 11, 2026Updated 3 months ago
- ☆33Sep 23, 2023Updated 2 years ago
- Weighted Ensemble simulation framework in Python☆61Jun 1, 2026Updated 3 weeks ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Self-supervised neural nets to understand protein mutations☆41Jun 18, 2026Updated last week
- ☆15Apr 7, 2022Updated 4 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated last year
- Correlation-based feature selection of Molecular Dynamics simulations☆29Jun 22, 2026Updated last week
- This repo contains the codes to run solvation free energy prediction.☆12May 1, 2022Updated 4 years ago
- Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network☆44Jun 23, 2022Updated 4 years ago
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 4 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆35Jun 20, 2026Updated last week
- 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.
- ☆14May 13, 2020Updated 6 years ago
- OpenMM plugin to interface with PLUMED☆79Jan 15, 2026Updated 5 months ago
- Structure-informed machine learning for kinase modeling☆61Updated this week
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 years ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆149Feb 12, 2025Updated last year
- Molecular docking with Alchemical Interaction Grids☆31Nov 6, 2025Updated 7 months ago
- The OpenMM Cookbook and Tutorials☆58Apr 28, 2026Updated 2 months ago
- ☆11Oct 25, 2023Updated 2 years ago
- Tools for ThermoML parsing☆21Sep 20, 2021Updated 4 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.
- ☆12Jul 30, 2019Updated 6 years ago
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated last year
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆174May 22, 2026Updated last month
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆20Aug 20, 2021Updated 4 years ago
- Accelerated sampling framework with autoencoder-based method☆23Sep 7, 2019Updated 6 years ago
- Build and run container environment for LFRic☆11Jan 8, 2024Updated 2 years ago
- Automated tools for submitting molecules to QCFractal☆26Jun 19, 2026Updated last week