☆48Jul 16, 2025Updated 7 months ago
Alternatives and similar repositories for pygamd-v1
Users that are interested in pygamd-v1 are comparing it to the libraries listed below
Sorting:
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆26Jan 21, 2026Updated last month
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆17Feb 4, 2026Updated last month
- ☆17Jun 12, 2022Updated 3 years ago
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆16Jul 8, 2023Updated 2 years ago
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆13Jan 12, 2026Updated last month
- Data and script of Umbrella Sampling for molecular transmembrane☆14Jun 21, 2024Updated last year
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Apr 11, 2025Updated 10 months ago
- A simple Lennard-Jones molecular dynamics software☆29Jul 10, 2024Updated last year
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆18Nov 21, 2019Updated 6 years ago
- Multiscale Simulation Tool for Backmapping☆22Feb 7, 2026Updated last month
- A Python toolkit for the analyis of lipid membrane simulations☆34Oct 24, 2025Updated 4 months ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆43Nov 25, 2025Updated 3 months ago
- For the purpose of post progressing of MD carried by gromacs☆23Jul 2, 2025Updated 8 months ago
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 3 years ago
- Flexible storage of chemical topology for molecular simulation☆68Updated this week
- TS2CG version 2☆26Feb 28, 2026Updated last week
- Development of High-Throughput Polymer Network Atomistic Simulation☆25Nov 19, 2024Updated last year
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆186Dec 19, 2025Updated 2 months ago
- ☆27Jan 20, 2022Updated 4 years ago
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- An elementary MD simulation program written in python☆24Sep 29, 2021Updated 4 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Mar 2, 2026Updated last week
- Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of p…☆13Feb 26, 2024Updated 2 years ago
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆15Updated this week
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆13Feb 11, 2026Updated 3 weeks ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- Supplementary scripts for Z1+ users☆16Dec 12, 2025Updated 2 months ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Feb 8, 2026Updated last month
- Implementation of MOFF force field. Please cite us at Latham, A; Zhang, B J. Chem. Theory Comput. 2021, 17, 3134. (https://pubs.acs.org/d…☆10Jun 16, 2022Updated 3 years ago
- Code for reviewers☆12Oct 8, 2024Updated last year
- ☆13Dec 17, 2025Updated 2 months 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
- A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Bou…☆26Sep 21, 2022Updated 3 years ago
- Force field-inspired molecular representation learning model☆22Sep 26, 2023Updated 2 years ago
- ☆19Feb 6, 2017Updated 9 years ago
- A ready-to-use energy diagram drawing program☆12Nov 23, 2023Updated 2 years ago
- Rigid Body Dynamics with OpenMM☆12May 29, 2018Updated 7 years ago
- Software for automated processing of alchemical free energy calculations☆11Nov 7, 2022Updated 3 years ago
- Molecular visualization for MDAnalysis with MolecularNodes in Blender☆18Mar 30, 2025Updated 11 months ago