Martini-Force-Field-Initiative / BartenderLinks
Automated bonded parameters for Martini 3
☆23Updated 4 months ago
Alternatives and similar repositories for Bartender
Users that are interested in Bartender are comparing it to the libraries listed below
Sorting:
- ☆25Updated 4 months ago
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Updated 7 months ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆31Updated last year
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆23Updated 9 months ago
- Absolute solvation free energy calculations with OpenFF and OpenMM☆25Updated 11 months ago
- Multiscale Simulation Tool for Backmapping☆20Updated 2 months ago
- Python program for modelling and simulating polymers.☆39Updated last month
- A Package for Parametrization of Molecular Mechanics Force Fields☆32Updated 3 years ago
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆34Updated 3 months ago
- ☆28Updated last year
- Mindless molecule generator in a Python package.☆39Updated last week
- ☆31Updated 2 years ago
- Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geomet…☆23Updated 2 weeks ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆28Updated 3 weeks ago
- Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.☆21Updated 4 months ago
- Gromacs Implementation of OPLS-AAM Force field☆14Updated 7 years ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆25Updated 2 months ago
- Examples of applications of pymbar to various problems in simulation and experiment☆23Updated 10 years ago
- ☆13Updated 4 months ago
- MOPAC wrapper providing the PM6-ML correction☆20Updated 4 months ago
- Free Parametrization for Small Molecules☆48Updated last month
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆22Updated 6 years ago
- Build coarse-grained mapping for molecules from a web-GUI☆15Updated 4 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆45Updated last week
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆31Updated last year
- Automated reaction mechanism generator and general boxed molecular dynamics package for accelerated sampling in molecular dynamics simula…☆16Updated 4 years ago
- Temperature generator for Replica Exchange MD simulations☆29Updated 2 years ago
- A tutorials suite for BioSimSpace.☆31Updated last month
- This package is meant to calculate the dihedral entropy of a biomolecule. However, it can also calculate the entropy of any binnable dat…☆23Updated last year