Primitive Path Analysis (PPA) for LAMMPS
☆11Aug 25, 2022Updated 3 years ago
Alternatives and similar repositories for LAMMPS-PPA
Users that are interested in LAMMPS-PPA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Python library for constructing polymer topologies and coordinates☆18Sep 23, 2025Updated 6 months ago
- ☆58Updated this week
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆28Jan 21, 2026Updated 2 months ago
- Code to analyze molecular dynamics trajectory☆18Nov 13, 2024Updated last year
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆18Nov 21, 2019Updated 6 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Mar 30, 2026Updated last week
- Urban Weather Generator☆12Nov 14, 2017Updated 8 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆41Updated this week
- Analyse Rotational Diffusion Tensor from MD Simulations☆22Oct 31, 2024Updated last year
- Modernized Moving Particle Semi-implicit/Simulation method code written in C++.☆14Mar 30, 2026Updated last week
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆58Dec 29, 2023Updated 2 years ago
- Package to run atomic / molecular Monte Carlo simulations☆21Mar 26, 2026Updated 2 weeks ago
- A finite element code for prediction of the response of viscoelastic materials☆12Mar 14, 2023Updated 3 years 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.
- The future of Packmol☆41Mar 4, 2026Updated last month
- Vulnerability Management with SBOM☆20Updated this week
- A HOOMD-blue component for soft matter simulations.☆25Mar 23, 2026Updated 2 weeks ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆22Aug 19, 2025Updated 7 months ago
- A Python Dictionary Of Color Combinations☆14May 24, 2025Updated 10 months ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Mar 2, 2026Updated last month
- Flexible storage of chemical topology for molecular simulation☆68Mar 30, 2026Updated last week
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆22Jun 12, 2020Updated 5 years ago
- 分子動力学法ステップ・バイ・ステップ☆17Oct 13, 2019Updated 6 years ago
- 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.
- A Python implementation of Kernel Principal Component Analysis (KPCA)☆22Aug 15, 2020Updated 5 years ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 3 years ago
- A fragment-based molecular assembly toolkit☆43Mar 25, 2026Updated 2 weeks ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆187Apr 1, 2026Updated last week
- Martini 3 small molecule database☆71Oct 3, 2025Updated 6 months ago
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆75Mar 30, 2026Updated last week
- BigSMILES☆10Jun 16, 2024Updated last year
- Crystalline growth of dendrite snow simulated by phase field with Taichi-based cross-platform parallel (CPU/GPU) computing☆19Sep 20, 2022Updated 3 years ago
- Moving Particle Semi-implicit (MPS) method with Polygon or Particle wall. C++/OpenMP code for physical simulation of fluid with presence …☆22Nov 24, 2024Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Library for computing anisotropy extension to SOAP descriptors☆11Mar 13, 2026Updated 3 weeks ago
- Simulates polymer chain growth based on the Mayo Lewis equation and the Monte Carlo method☆11Dec 8, 2022Updated 3 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆92Updated this week
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year
- The Nutmeg machine learning models☆11Jan 23, 2025Updated last year