MSM-RAD-X-VMD-Plugin / PACKMOL-GUILinks
An Integrated VMD Graphical User Interface for Molecular Packing
☆22Updated 7 months ago
Alternatives and similar repositories for PACKMOL-GUI
Users that are interested in PACKMOL-GUI are comparing it to the libraries listed below
Sorting:
- Python program for modelling and simulating polymers.☆38Updated last week
- A Package for Parametrization of Molecular Mechanics Force Fields☆32Updated 2 years ago
- Development of High-Throughput Polymer Network Atomistic Simulation☆23Updated 8 months ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆30Updated last year
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆41Updated 3 months ago
- ☆23Updated 2 years ago
- ☆17Updated 9 months ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆43Updated last year
- ☆28Updated 3 years ago
- OpenMM plugin for simulating electrochemical systems☆21Updated 10 months ago
- This is the repository corresponding to the TS-tools project.☆23Updated last week
- Automated reaction discovery and dataset generation with the growing string method☆20Updated 5 years ago
- ☆35Updated this week
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆35Updated 7 years ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- ☆21Updated last month
- MLP training for molecular systems☆49Updated this week
- ☆24Updated last month
- Mindless molecule generator in a Python package.☆39Updated last month
- Automated calculation of cavity in molecular cages☆21Updated 4 months ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆54Updated 3 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆21Updated 5 months ago
- A simple program to solve the Eyring Equation and first/second order kinetics.☆20Updated last month
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆35Updated last week
- Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations☆44Updated 3 months ago
- ☆31Updated 2 weeks ago
- AIMNet-NSE model☆45Updated last year
- open data sets for machine learning pertaining to porous materials☆27Updated last year
- pyWINDOW is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and…☆13Updated 7 years ago
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆29Updated 3 years ago