Scripts for PCA and related analyses of lipid motions
☆10Jun 21, 2022Updated 3 years ago
Alternatives and similar repositories for PCAlipids
Users that are interested in PCAlipids are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MemSurfer is a software tool to compute bilayer membrane surfaces.☆27May 23, 2024Updated last year
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 2 years ago
- ☆28Jan 20, 2022Updated 4 years ago
- MDAnalysis tool to calculate membrane curvature.☆35Updated this week
- ☆11Oct 18, 2019Updated 6 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Automatic Mutual Information Noise Omission☆16Oct 8, 2024Updated last year
- Normal Mode Analysis for Macromolecules☆18Apr 1, 2017Updated 9 years ago
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated 9 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 3 months ago
- Fast PBC wrapping and unwrapping for VMD☆26Nov 25, 2024Updated last year
- Source code for HOLE program.☆40Aug 15, 2024Updated last year
- Using supervised machine learning to build collective variables for accelerated sampling☆28Jun 26, 2018Updated 7 years ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆32Apr 24, 2026Updated last week
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated 9 months 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.
- Examples of applications of pymbar to various problems in simulation and experiment☆23Jan 16, 2015Updated 11 years ago
- ☆12Feb 4, 2025Updated last year
- Spatiotemporal identification of druggable binding sites using deep learning☆22Mar 16, 2021Updated 5 years ago
- A library for converting molecular topologies☆13May 20, 2015Updated 10 years ago
- TS2CG: Conversion of triangulated surfaces to (coarse grain) membrane models for molecular simulation☆32Apr 17, 2025Updated last year
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆46Updated this week
- Knee or elbow detection for curves☆22Aug 29, 2025Updated 8 months ago
- This repository contains the jupyter notebooks for the custom-built DenseNet Model build on Tiny ImageNet dataset☆18Jun 2, 2020Updated 5 years ago
- Density based object completion over PBC.☆30Apr 23, 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.
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Sep 13, 2023Updated 2 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆35Oct 24, 2025Updated 6 months ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- Automatic MARTINI parametrization of small organic molecules☆73May 28, 2025Updated 11 months ago
- Gromacs to Lammps simulation converter☆92Dec 9, 2023Updated 2 years ago
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 3 weeks ago
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 4 years ago
- Detect and characterize binding pockets from molecular simulations.☆16Mar 17, 2026Updated last month
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A python toolkit for analysing membrane protein-lipid interactions.☆70Mar 30, 2026Updated last month
- A fast solver for large scale MBAR/UWHAM equations☆40Sep 4, 2024Updated last year
- A tutorial code to perform Monte Carlo simulations of patchy particles☆12Dec 1, 2025Updated 5 months ago
- Implementation of corrections for diffusion coefficients in membrane simulations.☆10Aug 2, 2022Updated 3 years ago
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆12Feb 7, 2025Updated last year
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Apr 11, 2025Updated last year
- Statistical models for biomolecular dynamics☆44May 8, 2025Updated 11 months ago