Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.
☆16Dec 20, 2022Updated 3 years ago
Alternatives and similar repositories for buildH
Users that are interested in buildH are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Computational materials design, with less code.☆13Aug 3, 2026Updated last week
- Sample molecular simulation workflows using a MoSDeF and community tools☆17Jul 19, 2022Updated 4 years ago
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Jul 29, 2026Updated last week
- Parallel programming with Python exercises☆13Feb 18, 2025Updated last year
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 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.
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆23Updated this week
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆20Jun 2, 2026Updated 2 months ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- ☆18Dec 2, 2024Updated last year
- A suite of tools to explore protein structures with Protein Blocks☆30Jan 27, 2021Updated 5 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆14May 30, 2021Updated 5 years ago
- Packs stuff in boxes☆24Jul 7, 2026Updated last month
- A python toolkit for analysing membrane protein-lipid interactions.☆71Mar 30, 2026Updated 4 months 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.
- Density based object completion over PBC.☆33Apr 23, 2026Updated 3 months ago
- CLI tools for Slurm clusters☆14Jun 5, 2026Updated 2 months ago
- Prepare topology and coordinate file for CG models in Genesis.☆13May 14, 2026Updated 2 months ago
- Repository for Chemical Perception Sampling Tools☆24Aug 13, 2024Updated last year
- Flexible storage of chemical topology for molecular simulation☆73Updated this week
- Particle Swarm Optimization algorithm in Python☆14Apr 23, 2024Updated 2 years ago
- The future of Packmol☆43Updated this week
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Aug 3, 2024Updated 2 years ago
- Polarisable force field for ionic liquids☆19Apr 16, 2026Updated 3 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A domain specific language for creating scientific pipelines☆14Jul 1, 2026Updated last month
- A Python toolkit for the analyis of lipid membrane simulations☆36Jun 20, 2026Updated last month
- Massively parallel hybrid particle-field molecular dynamics in Python.☆30Sep 6, 2024Updated last year
- Excimontec is an open-source KMC simulation software package for modeling the optoelectronic processes in organic semiconductor materials…☆37Sep 26, 2022Updated 3 years ago
- Module for finding eigenvalues and wavefunctions using spectral methods.☆11Aug 24, 2016Updated 9 years ago
- Conda recipes for Glotzer Lab software on HPC resources☆11Jul 31, 2026Updated last week
- A Python package for analysing knots and links, in space-curves or from standard topological notations☆47Feb 19, 2023Updated 3 years ago
- Models that demonstrate the syntax and functionality of BioNetGen language and simulation tools.☆15May 30, 2023Updated 3 years ago
- GROMACS implementation of TraPPE-UA force field with HH-Alkane modifications☆14Sep 24, 2022Updated 3 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.
- To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.☆31Apr 15, 2025Updated last year
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 5 years ago
- Numerical eigenvalue/eigenfunction software: PyQt GUI and FEniCS finite elements.☆11Mar 25, 2018Updated 8 years ago
- ☆13Dec 20, 2025Updated 7 months ago
- ☆12Apr 16, 2021Updated 5 years ago
- Tutorials about computational chemistry☆13Sep 22, 2024Updated last year
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆49Aug 19, 2024Updated last year