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
Alternatives and similar repositories for MSCG-release
Users that are interested in MSCG-release are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generate intrinsically disordered peptide conformations via machine learning☆26May 26, 2024Updated 2 years ago
- The MDAnalysis Toolkits Registry☆19Oct 11, 2026Updated last week
- HAL's MD package: Highly Accelerated Large-scale Molecular Dynamics simulations☆24Oct 1, 2026Updated 2 weeks ago
- Martini 3 small molecule database☆73May 13, 2026Updated 5 months ago
- ☆11Aug 29, 2022Updated 4 years 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.
- Experimental small molecule hydration free energy dataset☆33Mar 29, 2022Updated 4 years ago
- VMD Audio/Text control with natural language☆19May 12, 2021Updated 5 years ago
- Prepare topology and coordinate file for CG models in Genesis.☆13Sep 25, 2026Updated 3 weeks ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆24Feb 25, 2019Updated 7 years ago
- Density based object completion over PBC.☆33Apr 23, 2026Updated 5 months ago
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆34Nov 5, 2025Updated 11 months ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆69Aug 2, 2026Updated 2 months ago
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated 7 months ago
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 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.
- Automatic Mutual Information Noise Omission☆16Oct 8, 2024Updated 2 years ago
- Force Field X development has moved to the SchniedersLab area of GitHub.☆17Oct 4, 2019Updated 7 years ago
- A domain specific language for creating scientific pipelines☆14Updated this week
- Material from papers from KULL centre☆71May 29, 2024Updated 2 years ago
- GROMACS implementation of TraPPE-UA force field with HH-Alkane modifications☆14Sep 24, 2022Updated 4 years ago
- Packmol - Initial configurations for molecular dynamics simulations☆382May 27, 2026Updated 4 months ago
- A rehaul of the glosim code, adding new features and removing many unused ones.☆11Aug 13, 2020Updated 6 years ago
- ☆11Nov 5, 2019Updated 6 years ago
- a python package for the interfacial analysis of molecular simulations☆98Sep 11, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Benchmark and reference set for conformational energies in peptides☆14Oct 10, 2018Updated 8 years ago
- Electron-passing neural networks for charge partitioning in quantum chemistry☆10Dec 21, 2022Updated 3 years ago
- Genetic Algorithm (GA) program for optimizing the parameters of a polarizable force field based on the AMOEBA functional form☆13Jul 27, 2018Updated 8 years ago
- Force fields in various formats☆28May 2, 2024Updated 2 years ago
- Script to export the definition for an Amazon Lex bot using the Amazon Lex Model Building Service API.☆13Jul 24, 2017Updated 9 years ago
- ☆27Mar 27, 2024Updated 2 years ago
- command line viewer for molecular dynamics simulations☆31Jul 8, 2026Updated 3 months ago
- Superseded by FabSim3.☆14Jun 11, 2019Updated 7 years ago
- Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities☆15Oct 21, 2024Updated 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.
- 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
- ☆13Jun 30, 2025Updated last year
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆10May 25, 2016Updated 10 years ago
- Parameter/topology editor and molecular simulator☆456Oct 9, 2026Updated last week
- The future of Packmol☆43Oct 8, 2026Updated last week
- Syncthing discovery server Docker image for http://syncthing.net/☆14May 12, 2025Updated last year
- This is a mirror, please report bugs to☆15Updated this week