Coarse-Grained SMILES (CGsmiles) A Versatile Line Notation for Molecular Representations Across Multiple Resolutions
☆18Oct 2, 2026Updated last week
Alternatives and similar repositories for CGsmiles
Users that are interested in CGsmiles are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automated bonded parameters for Martini 3☆27Jul 20, 2025Updated last year
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Jun 17, 2026Updated 3 months ago
- Python interface for Enhanced Monte Carlo (EMC)☆26Updated this week
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated 2 years ago
- ☆12Jan 1, 2019Updated 7 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆34Nov 5, 2025Updated 11 months ago
- ☆67Updated this week
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆31Jan 21, 2026Updated 8 months ago
- Tools for polymer molecular dynamics simulations☆17Aug 28, 2026Updated last month
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 5 years ago
- A platform for setting up high throughput polymer electrolyte MD simulations.☆23May 9, 2026Updated 5 months ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆201Sep 29, 2026Updated last week
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆24Updated this week
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Build coarse-grained mapping for molecules from a web-GUI☆20Sep 10, 2021Updated 5 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆12Oct 8, 2021Updated 5 years ago
- A Python library for constructing polymer topologies and coordinates☆24Sep 23, 2025Updated last year
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆20Sep 17, 2026Updated 3 weeks ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆49Aug 19, 2024Updated 2 years ago
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆26Apr 27, 2026Updated 5 months ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- Row is a command line tool that helps you manage workflows on HPC resources.☆19Updated this week
- C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphou…☆29Jul 21, 2026Updated 2 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.
- ☆28Jan 20, 2022Updated 4 years ago
- TS2CG version 2☆29Apr 18, 2026Updated 5 months ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆16Oct 25, 2022Updated 3 years ago
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 5 years ago
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- Standalone charge assignment from Espaloma framework.☆49Oct 10, 2025Updated 11 months ago
- Python Suite for Advanced General Ensemble Simulations☆109Updated this week
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- Python program for modelling and simulating polymers.☆45Jul 6, 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.
- The Block Copolymer Phase Behavior Database (BCDB)☆21Mar 1, 2024Updated 2 years ago
- ☆25Nov 19, 2024Updated last year
- Software Suite for Advanced General Ensemble Simulations☆94Feb 24, 2023Updated 3 years ago
- Examples for the signac framework.☆15Updated this week
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆283Aug 7, 2026Updated 2 months ago
- ☆19Jul 10, 2026Updated 2 months ago
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year