Supplementary scripts for Z1+ users
☆17Dec 12, 2025Updated 3 months ago
Alternatives and similar repositories for Z1plus-code
Users that are interested in Z1plus-code are comparing it to the libraries listed below
Sorting:
- Builder for molecular systems☆17Feb 3, 2026Updated last month
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆27Jan 21, 2026Updated last month
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Python program for modelling and simulating polymers.☆40Feb 24, 2026Updated 3 weeks ago
- Development of High-Throughput Polymer Network Atomistic Simulation☆25Nov 19, 2024Updated last year
- Awesome list about AI4Polymer☆18Sep 23, 2025Updated 5 months ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Mar 2, 2026Updated 2 weeks ago
- Shared repo for trajectory analysis and infrastructure development☆23Feb 21, 2024Updated 2 years ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Oct 25, 2022Updated 3 years ago
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 4 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Jan 31, 2025Updated last year
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Jan 12, 2026Updated 2 months ago
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- Bottom-up Open-source Coarse-graining Software☆21Aug 9, 2024Updated last year
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Nov 27, 2025Updated 3 months ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 4 months ago
- pywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and…☆13Sep 29, 2025Updated 5 months ago
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 3 years ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆20Feb 14, 2024Updated 2 years ago
- Automated bonded parameters for Martini 3☆26Jul 20, 2025Updated 8 months ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆25Feb 4, 2026Updated last month
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆23Mar 5, 2026Updated 2 weeks ago
- Flexible storage of chemical topology for molecular simulation☆68Mar 13, 2026Updated last week
- The repository for the generative pretrained model on polymer generation☆18Sep 26, 2025Updated 5 months ago
- Browser-based tool designed to extract data curves from images.☆36Dec 3, 2025Updated 3 months ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆47Mar 12, 2026Updated last week
- Generate PEG topology for GROMACS and LAMMPS☆25Aug 19, 2024Updated last year
- BigSMILES☆10Jun 16, 2024Updated last year
- 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 5 years ago
- ☆56Mar 5, 2026Updated 2 weeks ago
- Playmol is a(nother) software for building molecular models☆19Mar 14, 2023Updated 3 years ago
- ☆18Jul 14, 2022Updated 3 years ago
- Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling☆42May 1, 2023Updated 2 years ago
- [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks☆74Aug 26, 2023Updated 2 years ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆31Feb 18, 2026Updated last month
- learning coarse-grained force fields☆65Nov 30, 2021Updated 4 years ago
- Cross-platform Optimizer for ML Interatomic Potentials☆24Aug 31, 2025Updated 6 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆33May 14, 2019Updated 6 years ago
- The source of the votca-csg and xtp packages☆61Updated this week