timvdm / Avogadro-Packmol-ExtensionLinks
An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
☆11Updated 15 years ago
Alternatives and similar repositories for Avogadro-Packmol-Extension
Users that are interested in Avogadro-Packmol-Extension are comparing it to the libraries listed below
Sorting:
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆26Updated last year
- Python wrapper for packmol molecule packing program☆12Updated 9 years ago
- Tools for ThermoML parsing☆21Updated 3 years ago
- A set of tutorials to introduce new users to mBuild☆11Updated 4 years ago
- ☆21Updated last week
- A Benchmark Implementation of COSMO-SAC☆67Updated 2 months ago
- ☆17Updated 5 months ago
- Implementation of various machine learning representations for molecules☆24Updated 3 years ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆17Updated last year
- Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files☆14Updated 9 years ago
- 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
- Coarse-graining potentials from atomistic references made easy☆26Updated 3 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Updated 8 years ago
- ARC - Automatic Rate Calculator☆46Updated this week
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆44Updated 6 years ago
- A Python code to quickly derive ab initio parameterized force fields.☆44Updated last year
- python simulation interface for molecular modeling☆96Updated 3 years ago
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆15Updated last month
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆13Updated 6 years ago
- Non-covalent index plots in molecular systems.☆20Updated 7 years ago
- Python program for aggregation and reaction☆22Updated 10 months ago
- Automated reaction pathway search for gas-phase molecules☆57Updated this week
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆46Updated last week
- A python script to prepare GROMACS input files using INTERFACE forcefield☆24Updated 3 years ago
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year
- Plots absorption spectra from from ORCA output files☆19Updated 10 months ago
- Materials, issues and things for the 2018 Workshop and Hackathon☆14Updated last month
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆43Updated 2 weeks ago