Convert PDB files to LAMMPS data and force field files.
☆20Oct 9, 2017Updated 9 years ago
Alternatives and similar repositories for pdb2lmp
Users that are interested in pdb2lmp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Jul 7, 2016Updated 10 years ago
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 8 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 7 months ago
- A tool for performing post-processing of lammps log files☆12Jul 28, 2021Updated 5 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆20Feb 19, 2016Updated 10 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆14Jun 10, 2015Updated 11 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆34May 14, 2019Updated 7 years ago
- Constant potential method in LAMMPS☆52Aug 10, 2023Updated 3 years ago
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆21Feb 13, 2017Updated 9 years ago
- A Vectorized Implementation of the Tersoff Potential for the LAMMPS Molecular Dynamics Software☆13Nov 14, 2017Updated 8 years ago
- Examples demonstrating how to reproduce the results in the paper.☆72Nov 6, 2024Updated last year
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆171May 24, 2023Updated 3 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆20May 29, 2017Updated 9 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆89Nov 9, 2021Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆40Nov 11, 2021Updated 4 years ago
- Free energy perturbation in LAMMPS.☆24Apr 18, 2021Updated 5 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆44Oct 5, 2026Updated last week
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- Tutorial to build AMBER compatable protein+lipid systems☆17Apr 19, 2017Updated 9 years ago
- Playmol is a(nother) software for building molecular models☆19Mar 14, 2023Updated 3 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 3 years ago
- 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
- Repository for material from the 2022 MC/MD Summer Workshop☆15Jul 12, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Beginner LAMMPS tutorials in Jupyter notebooks — lattice energy, tension and compression, grain boundaries, fracture, and polymer chains☆500Jul 19, 2026Updated 2 months ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Apr 27, 2019Updated 7 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆48Nov 12, 2021Updated 4 years ago
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 5 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 4 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 10 months ago
- [졸업작품] 가정용 스마트팜 프로젝트 (라즈베리파이)☆11Aug 7, 2021Updated 5 years ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆21Jan 20, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Tracking citations of atomistic simulation engines☆28Oct 6, 2026Updated last week
- Atomistic Manipulation Toolkit☆35Sep 23, 2026Updated 3 weeks ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆38Jul 18, 2020Updated 6 years ago
- ☆118Oct 13, 2022Updated 4 years ago
- ☆29Feb 25, 2022Updated 4 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆32Dec 25, 2021Updated 4 years ago
- Codes and tutorials on thermodynamics and statistical physics☆17Jul 6, 2023Updated 3 years ago