COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM
☆15Feb 8, 2026Updated last month
Alternatives and similar repositories for cosmo
Users that are interested in cosmo are comparing it to the libraries listed below
Sorting:
- Coarse-grained simulations of biomolecular complexes☆13Aug 2, 2023Updated 2 years ago
- Repository for MD methods and analysis from submitted or published work☆20Jun 10, 2023Updated 2 years ago
- Official repo of the Biomeccanica Multiscala course (prof. Marco A. Deriu) - Master Degree in Biomedical engineering, Politecnico di Tori…☆12Jan 2, 2025Updated last year
- ☆64Dec 10, 2025Updated 3 months ago
- The GB99dms implicit solvent force field for proteins, plus scripts and data☆27Sep 19, 2025Updated 6 months ago
- Convert coarse-grained protein structure to all-atom model☆54Jun 7, 2025Updated 9 months ago
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆11Feb 7, 2025Updated last year
- Software for automated processing of alchemical free energy calculations☆11Nov 7, 2022Updated 3 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- ☆19Apr 7, 2025Updated 11 months ago
- Automatic CHARMM-GUI browser interaction with Python☆18Mar 20, 2023Updated 3 years ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- Source code for "Nucleosome plasticity is a critical element of chromatin liquid–liquid phase separation and multivalent nucleosome inter…☆13Jun 17, 2022Updated 3 years ago
- Discontinuous Molecular Dynamics (DMD) Simulation Package☆15Mar 21, 2022Updated 4 years ago
- ☆19Feb 6, 2017Updated 9 years ago
- FINCHES (First-principle Interactions via CHEmical Specificity) - Python package for predicting chemically-specific molecular interaction…☆43Feb 9, 2026Updated last month
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆39May 28, 2025Updated 9 months ago
- Source code and input files associated to the paper "Targeted free energy perturbation revisited: Accurate free energies from mapped refe…☆13Sep 14, 2021Updated 4 years ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆25Jul 19, 2021Updated 4 years ago
- Data and script of Umbrella Sampling for molecular transmembrane☆14Jun 21, 2024Updated last year
- Run OpenMM with forces provided by any Python program☆39Dec 25, 2024Updated last year
- Build coarse-grained mapping for molecules from a web-GUI☆18Sep 10, 2021Updated 4 years ago
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆20Sep 12, 2023Updated 2 years ago
- Bayesian Multistate Bennett Acceptance Ratio Method☆16Updated this week
- Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code☆41Dec 11, 2025Updated 3 months ago
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆34Dec 10, 2023Updated 2 years ago
- SIMD instructions for faster distance calculations.☆25Oct 13, 2025Updated 5 months ago
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Sep 13, 2023Updated 2 years ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆58Updated this week
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated last week
- ☆11Oct 25, 2023Updated 2 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Mar 2, 2026Updated 2 weeks ago
- For the purpose of post progressing of MD carried by gromacs☆23Jul 2, 2025Updated 8 months ago
- TS2CG version 2☆26Feb 28, 2026Updated 3 weeks ago
- The OpenMM Cookbook and Tutorials☆56Feb 11, 2026Updated last month
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆27Jan 21, 2026Updated 2 months ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆35Mar 12, 2026Updated last week
- Conformational sampling for highly flexible proteins☆15Jan 31, 2025Updated last year
- Generate PEG topology for GROMACS and LAMMPS☆25Aug 19, 2024Updated last year