youliangzhu / pygamd-v1Links
☆45Updated 5 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:
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆45Updated 3 weeks ago
- A GUI program for plotting Minimal energy path on potential energy surface.☆40Updated 4 years ago
- MDAnalysis wrapper around Packmol☆35Updated 2 years ago
- ☆17Updated 3 years ago
- ☆49Updated 3 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆72Updated last year
- ☆44Updated 3 months ago
- Gromacs to Lammps simulation converter☆86Updated 2 years ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆20Updated last year
- OpenMM plugin for simulating electrochemical systems☆21Updated last year
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆71Updated 2 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆22Updated 3 years ago
- ☆50Updated last week
- A python script to prepare GROMACS input files using INTERFACE forcefield☆26Updated 3 years ago
- Python code for learning Molecular Dynamics simulations☆53Updated 5 years ago
- ☆30Updated 2 years ago
- An Integrated VMD Graphical User Interface for Molecular Packing☆30Updated last year
- Force field for ionic liquids☆70Updated 2 weeks ago
- ☆78Updated last year
- A GROMACS implementation of the ClayFF force field☆40Updated 3 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆22Updated 2 months ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆59Updated 3 months ago
- Molecular simulation toolkit☆19Updated 3 months ago
- ☆16Updated 3 years ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆18Updated last year
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- Development of High-Throughput Polymer Network Atomistic Simulation☆25Updated last year
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆23Updated 5 years ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆46Updated last year