Automated bonded parameters for Martini 3
☆26Jul 20, 2025Updated 9 months ago
Alternatives and similar repositories for Bartender
Users that are interested in Bartender are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Build coarse-grained mapping for molecules from a web-GUI☆18Sep 10, 2021Updated 4 years ago
- Describe and apply transformation on molecular structures and topologies☆144Apr 28, 2026Updated last week
- Automatic MARTINI parametrization of small organic molecules☆73May 28, 2025Updated 11 months ago
- TS2CG version 2☆27Apr 18, 2026Updated 2 weeks ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆66Nov 26, 2025Updated 5 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆35Oct 24, 2025Updated 6 months ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Nov 9, 2022Updated 3 years ago
- Supplementary scripts for Z1+ users☆18Dec 12, 2025Updated 4 months ago
- ☆21Dec 11, 2024Updated last year
- Introduction to Scientific Visualization with Blender course☆21Mar 13, 2026Updated last month
- Martini 3 Building Blocks for Lipid Nanoparticle Design☆25Mar 18, 2026Updated last month
- Martini 3 small molecule database☆72Oct 3, 2025Updated 7 months ago
- ☆21May 28, 2025Updated 11 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.
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Jan 31, 2025Updated last year
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- Builder for molecular systems☆17Feb 3, 2026Updated 3 months ago
- Jupyter book and content for "Machine Learning for Molecular Dynamics" course☆13Apr 7, 2022Updated 4 years ago
- A script using RDKit to reproduce the BBB score reported by Gupta.☆11Jul 20, 2021Updated 4 years ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆47Apr 27, 2026Updated last week
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆16Apr 23, 2026Updated last week
- pywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and…☆13Sep 29, 2025Updated 7 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- ☆17Nov 19, 2023Updated 2 years ago
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 3 years ago
- ☆28Jan 20, 2022Updated 4 years ago
- A Python package to generate free energy landscape (FEL) of molecular dynamics (MD) trajectory obtained from GROMACS. It also extracts th…☆14Apr 4, 2025Updated last year
- ☆11Apr 16, 2021Updated 5 years ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆20Feb 14, 2024Updated 2 years ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆60Aug 2, 2025Updated 9 months ago
- R Markdown/Bookdown の日本語用フォーマット☆16Aug 30, 2022Updated 3 years ago
- 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.
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆76Mar 27, 2025Updated last year
- ☆11Aug 30, 2020Updated 5 years ago
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23Mar 20, 2026Updated last month
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 3 months ago
- MDAnalysis tool to calculate membrane curvature.☆35Updated this week
- ☆11Sep 2, 2024Updated last year
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Dec 10, 2025Updated 4 months ago