☆18Jul 26, 2024Updated 2 years ago
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 4 years ago
- A python module to plot secondary structure schemes☆26Mar 18, 2026Updated 6 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 3 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.
- ☆25Feb 28, 2023Updated 3 years ago
- Multi-Level DBSCAN: A Hierarchical Density-Based Clustering Method for Analyzing Molecular Dynamics Trajectories☆13Dec 6, 2020Updated 5 years ago
- ☆13Jul 11, 2026Updated 2 months ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 8 years ago
- ☆17Oct 30, 2023Updated 2 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆37Mar 11, 2026Updated 6 months ago
- Weighted Ensemble simulation framework in Python☆61Sep 3, 2026Updated 2 weeks ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Self-supervised neural nets to understand protein mutations☆40Jul 23, 2026Updated last month
- 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.
- Computation of the drug-target relative residence times from RAMD simulations☆23Aug 29, 2024Updated 2 years ago
- ☆34Aug 28, 2026Updated 3 weeks ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated 2 years ago
- Correlation-based feature selection of Molecular Dynamics simulations☆29Aug 18, 2026Updated last month
- ☆15Apr 7, 2022Updated 4 years ago
- This repo contains the codes to run solvation free energy prediction.☆13May 1, 2022Updated 4 years ago
- Predict allosteric pockets on proteins☆15Mar 28, 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
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 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.
- A Python toolkit for the analyis of lipid membrane simulations☆36Jun 20, 2026Updated 3 months ago
- OpenMM plugin to interface with PLUMED☆82Aug 31, 2026Updated 2 weeks ago
- Structure-informed machine learning for kinase modeling☆60Updated this week
- ☆14May 13, 2020Updated 6 years ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆153Feb 12, 2025Updated last year
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆20Aug 20, 2021Updated 5 years ago
- Molecular docking with Alchemical Interaction Grids☆32Nov 6, 2025Updated 10 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆176Sep 7, 2026Updated last week
- MD-ligand-receptor is a bioinformatics pipeline written in Python for analyzing non-covalent ligand-receptor interactions in 3D structure…☆12Jun 18, 2023Updated 3 years ago
- 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.
- ☆11Oct 25, 2023Updated 2 years ago
- Tools for ThermoML parsing☆21Sep 20, 2021Updated 4 years ago
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated last year
- Accelerated sampling framework with autoencoder-based method☆23Sep 7, 2019Updated 7 years ago
- ☆12Jul 30, 2019Updated 7 years ago
- Build and run container environment for LFRic☆11Jan 8, 2024Updated 2 years ago
- ☆60Aug 27, 2026Updated 3 weeks ago