Scripts for PCA and related analyses of lipid motions
☆10Jun 21, 2022Updated 4 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:
- ☆27Jan 20, 2022Updated 4 years ago
- MemSurfer is a software tool to compute bilayer membrane surfaces.☆28May 23, 2024Updated 2 years ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- MDAnalysis tool to calculate membrane curvature.☆36Updated this week
- ☆11Oct 18, 2019Updated 6 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- 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 11 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆30Jan 21, 2026Updated 6 months ago
- Fast PBC wrapping and unwrapping for VMD☆27Nov 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 8 years ago
- Examples of applications of pymbar to various problems in simulation and experiment☆24Jan 16, 2015Updated 11 years ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆32Jul 8, 2026Updated last week
- 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.
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated last year
- Spatiotemporal identification of druggable binding sites using deep learning☆22Jul 13, 2026Updated last week
- ☆12Feb 4, 2025Updated last year
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆47Jul 13, 2026Updated last week
- TS2CG: Conversion of triangulated surfaces to (coarse grain) membrane models for molecular simulation☆32Apr 17, 2025Updated last year
- A library for converting molecular topologies☆13May 20, 2015Updated 11 years ago
- Knee or elbow detection for curves☆22Aug 29, 2025Updated 10 months ago
- Density based object completion over PBC.☆33Apr 23, 2026Updated 2 months ago
- Automatic MARTINI parametrization of small organic molecules☆76May 28, 2025Updated last year
- 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.
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆36Sep 13, 2023Updated 2 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆36Jun 20, 2026Updated last month
- Gromacs to Lammps simulation converter☆94Dec 9, 2023Updated 2 years ago
- This repository contains the jupyter notebooks for the custom-built DenseNet Model build on Tiny ImageNet dataset☆18Jun 2, 2020Updated 6 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆14Dec 7, 2021Updated 4 years ago
- A tutorial code to perform Monte Carlo simulations of patchy particles☆12Dec 1, 2025Updated 7 months ago
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 3 months ago
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 4 years ago
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- 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.
- Statistical models for biomolecular dynamics☆44May 8, 2025Updated last year
- A python toolkit for analysing membrane protein-lipid interactions.☆71Mar 30, 2026Updated 3 months ago
- A fast solver for large scale MBAR/UWHAM equations☆40Sep 4, 2024Updated last year
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆12Feb 7, 2025Updated last year
- Implementation of corrections for diffusion coefficients in membrane simulations.☆10Aug 2, 2022Updated 3 years ago
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13May 12, 2026Updated 2 months ago
- Batch Bayesian Optimization within the Model Reification and Fusion Framework☆10Oct 8, 2021Updated 4 years ago