Coarse-graining potentials from atomistic references made easy
☆26Sep 27, 2021Updated 4 years ago
Alternatives and similar repositories for csg
Users that are interested in csg are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The source of the votca-csg and xtp packages☆61Updated this week
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Sep 28, 2021Updated 4 years ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆66Nov 26, 2025Updated 4 months ago
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆18Mar 16, 2026Updated 3 weeks ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆18Mar 20, 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-…☆47Aug 19, 2024Updated last year
- Simple microcanonical Molecular Dynamics simulation of a Lennard-Jones fluid in a periodic boundary☆10Jan 2, 2018Updated 8 years ago
- Conversion tool for molecular simulations☆225Jan 22, 2026Updated 2 months ago
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆18Jan 12, 2026Updated 3 months ago
- Utilities for ab initio modeling suite CRYSTAL, developed in Turin University☆11Aug 28, 2025Updated 7 months ago
- Mapping from Coarse Grain Models to Atomistic (and Back)☆19Sep 27, 2023Updated 2 years ago
- ☆33Sep 18, 2021Updated 4 years ago
- general purpose coarse-grained molecular dynamics simulation package☆35Jan 27, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Molecular dynamics trajectory analysis in Tensorflow☆37Jun 21, 2017Updated 8 years ago
- Distributed cartesian cell-refinable grid☆13Jun 13, 2025Updated 9 months ago
- GROM is a GROMACS(mdp,itp,top) files with Syntax Highlighting and PDB Editor with visual cues in one package based on Qt5,PyQt5 and Pyth…☆11Nov 14, 2016Updated 9 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Aug 3, 2024Updated last year
- minimal working duckuments☆14Sep 13, 2025Updated 6 months ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆38May 28, 2025Updated 10 months ago
- BoFiN HEOM Python version.☆17Aug 28, 2023Updated 2 years ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆50Mar 20, 2024Updated 2 years ago
- a rsync-based dump file system backup tool☆62Jan 16, 2019Updated 7 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- An open library for the analysis of molecular dynamics trajectories☆707Mar 31, 2026Updated last week
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆34Apr 18, 2023Updated 2 years ago
- Framework for Molecular Aggregate Excitation☆31Mar 22, 2026Updated 2 weeks ago
- Bottom-up Open-source Coarse-graining Software☆21Aug 9, 2024Updated last year
- The Molecular Dynamics teaching code.☆12Oct 17, 2025Updated 5 months ago
- helPME: an efficient library for particle mesh Ewald☆31Feb 28, 2022Updated 4 years ago
- The CEED high-order Field and Mesh Specification☆16Sep 10, 2021Updated 4 years ago
- To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.☆29Apr 15, 2025Updated 11 months ago
- Tree Search Molecular Dynamics Simulation☆11Aug 25, 2019Updated 6 years ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- Python package for generating Markov state models☆17Mar 13, 2026Updated 3 weeks ago
- Using supervised machine learning to build collective variables for accelerated sampling☆28Jun 26, 2018Updated 7 years ago
- Репозиторий курса "Введение в машинное обучение" в Техносфере☆13Dec 15, 2020Updated 5 years ago
- A molecule viewer with cavity computation☆17May 21, 2025Updated 10 months ago
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆15Nov 24, 2020Updated 5 years ago
- Gromacs Implementation of OPLS-AAM Force field☆15Aug 5, 2018Updated 7 years ago
- Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers☆17May 10, 2016Updated 9 years ago