VMD Plugin and associated scripts to build lignin structures from topological specifications
☆17Jul 17, 2025Updated last year
Alternatives and similar repositories for LigninBuilder
Users that are interested in LigninBuilder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Gromacs topology template generator☆16Jul 15, 2021Updated 5 years ago
- Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)☆44May 3, 2020Updated 6 years ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 years ago
- ☆29Feb 25, 2022Updated 4 years ago
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 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.
- A python package for performing GROMACS simulation ensembles☆22Jul 12, 2026Updated last month
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- Computing Diffusion Coefficients in Macromolecular Simulations: The Diffusion Coefficient Tool for VMD☆36Jan 26, 2023Updated 3 years ago
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated 2 years ago
- GridMAT-MD membrane analysis program☆26Sep 15, 2018Updated 7 years ago
- ☆12Jun 11, 2025Updated last year
- the simple alchemistry test set☆10Nov 20, 2025Updated 8 months ago
- C++ toolkit for use in reading in and analyzing Gromacs files☆13Oct 3, 2020Updated 5 years ago
- Materials for the "Introduction to Computational Chemistry Techniques" course at the University of Edinburgh☆15Jan 20, 2026Updated 6 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A library for converting molecular topologies☆13May 20, 2015Updated 11 years ago
- BAIT509 - Business Applications of Machine Learning☆13Feb 7, 2024Updated 2 years ago
- Parallel programming with Python exercises☆13Feb 18, 2025Updated last year
- Using supervised machine learning to build collective variables for accelerated sampling☆28Jun 26, 2018Updated 8 years ago
- ☆13Mar 21, 2021Updated 5 years ago
- ☆18Jul 10, 2026Updated last month
- Density based object completion over PBC.☆33Apr 23, 2026Updated 3 months ago
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 4 years ago
- A flexible, templated GPU library of neighbor search algorithms.☆11Aug 11, 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.
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆25Oct 12, 2022Updated 3 years ago
- Thermodynamically Explainable Representations of AI and other black-box Paradigms☆34Nov 3, 2024Updated last year
- ☆11Jan 1, 2022Updated 4 years ago
- ☆11Mar 28, 2026Updated 4 months ago
- ☆14Aug 5, 2020Updated 6 years ago
- OpenPyTEA: An open-source python toolkit for techno-economic assessment of process plants with economic sensitivity and uncertainty evalu…☆22Updated this week
- 30 tutorials in Python to get you from a beginner to advanced☆10Jul 3, 2019Updated 7 years ago
- MoSDeF compatible wrapper for Cassandra Monte Carlo code☆15Nov 12, 2024Updated last year
- Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.☆26May 9, 2024Updated 2 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.
- ☆14Feb 28, 2022Updated 4 years ago
- An open-source cross-platform PDF reader with built-in hypothes.is annotations☆10Mar 5, 2016Updated 10 years ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆23Aug 10, 2026Updated last week
- A fast solver for large scale MBAR/UWHAM equations☆42Sep 4, 2024Updated last year
- The repository for the generative pretrained model on polymer generation☆22Mar 20, 2026Updated 4 months ago
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆43Apr 27, 2026Updated 3 months ago
- ☆39May 31, 2021Updated 5 years ago