Martini 3 small molecule database
☆72May 13, 2026Updated last week
Alternatives and similar repositories for M3-Small-Molecules
Users that are interested in M3-Small-Molecules are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Describe and apply transformation on molecular structures and topologies☆144May 5, 2026Updated 3 weeks ago
- Build coarse-grained mapping for molecules from a web-GUI☆18Sep 10, 2021Updated 4 years ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆189May 8, 2026Updated 2 weeks ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆48Aug 19, 2024Updated last year
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆86Apr 19, 2026Updated last month
- 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.
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆67Nov 26, 2025Updated 6 months ago
- Mapping from Coarse Grain Models to Atomistic (and Back)☆20Sep 27, 2023Updated 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 2 years ago
- Automatic MARTINI parametrization of small organic molecules☆74May 28, 2025Updated 11 months ago
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23Mar 20, 2026Updated 2 months ago
- Collection of interaction and molecule parameters for the Martini3 force-field☆21Feb 7, 2023Updated 3 years ago
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆32Nov 5, 2025Updated 6 months ago
- The MDAnalysis Toolkits Registry☆19May 17, 2026Updated last week
- A tool for visualizing Martini force field simulations in VMD☆24May 11, 2026Updated 2 weeks 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.
- Massively parallel hybrid particle-field molecular dynamics in Python.☆30Sep 6, 2024Updated last year
- Automated bonded parameters for Martini 3☆27Jul 20, 2025Updated 10 months ago
- ☆61Jul 10, 2025Updated 10 months ago
- A tool for setting up free energy simulations.☆37Oct 20, 2022Updated 3 years ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆40Nov 2, 2022Updated 3 years ago
- ☆35Jun 10, 2025Updated 11 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆35Oct 24, 2025Updated 7 months ago
- Conversion tool for molecular simulations☆226Jan 22, 2026Updated 4 months ago
- ☆11May 12, 2026Updated 2 weeks 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.
- Primitive Path Analysis (PPA) for LAMMPS☆11Aug 25, 2022Updated 3 years ago
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated last year
- Public Releases of the Voth Group's Multi-scale Coarse-graining (MS-CG) code that calculates CG interactions via force matching (FM)☆26Apr 23, 2020Updated 6 years ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 4 months ago
- Development of High-Throughput Polymer Network Atomistic Simulation☆27May 18, 2026Updated last week
- An interoperable Python framework for biomolecular simulation.☆160May 14, 2026Updated last week
- ☆22Jan 25, 2023Updated 3 years ago
- ☆65Jul 25, 2025Updated 10 months ago
- Jupyter Noteboks for lecture and assignments for CHEM 1000: Mathematics for Chemistry at University of Pittsburgh☆34Apr 19, 2026Updated last month
- 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.
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 4 years ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆315Nov 17, 2025Updated 6 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆71Mar 30, 2026Updated last month
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆47Jan 27, 2022Updated 4 years ago
- The Block Copolymer Phase Behavior Database (BCDB)☆20Mar 1, 2024Updated 2 years ago
- Polymer self-consistent field theory (Fortran version)☆17Jul 25, 2023Updated 2 years ago
- Accurate prediction of protein pKa with representation learning☆46Feb 15, 2025Updated last year