FATSLiM / fatslimLinks
Main code repository for FATSLiM
☆21Updated 3 years ago
Alternatives and similar repositories for fatslim
Users that are interested in fatslim are comparing it to the libraries listed below
Sorting:
- Python bindings for TNG file format☆13Updated 6 months ago
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Updated 7 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆30Updated 2 months ago
- Physical validation of molecular simulations☆56Updated last month
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated 9 months ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆29Updated 8 months ago
- Fast PBC wrapping and unwrapping for VMD☆23Updated 6 months ago
- Dihedral scanner with wavefront propagation☆34Updated last month
- Parallel algorithms for MDAnalysis☆31Updated 10 months ago
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆25Updated 4 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago
- Calculation of water/solvent partition coefficients with Gromacs.☆27Updated 7 months ago
- ☆25Updated 3 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Updated 3 years ago
- Advanced toolkit for binding free energy calculations☆32Updated 5 months ago
- The MDAnalysis Toolkits Registry☆17Updated last week
- Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.☆21Updated 3 years ago
- Reads Gromacs EDR file to populate a pandas dataframe☆33Updated 6 months ago
- Experimental small molecule hydration free energy dataset☆30Updated 3 years ago
- Source code for HOLE program.☆35Updated 9 months ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆24Updated 5 years ago
- Compare optimized geometries and energies from various force fields with respect to a QM reference.☆13Updated 4 years ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated this week
- MDAnalysis tool to calculate membrane curvature.☆32Updated 9 months ago
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆32Updated 5 years ago
- Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards☆42Updated 3 years ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆69Updated last year
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 2 years ago
- Package for consistent reporting of relative free energy results☆39Updated last month
- Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…☆53Updated last year