LLNL / MemSurferLinks
MemSurfer is a software tool to compute bilayer membrane surfaces.
☆27Updated last year
Alternatives and similar repositories for MemSurfer
Users that are interested in MemSurfer are comparing it to the libraries listed below
Sorting:
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards☆45Updated 4 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆63Updated last year
- A Python toolkit for the analyis of lipid membrane simulations☆33Updated last month
- Weighted Ensemble simulation framework in Python☆58Updated 2 weeks ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆31Updated last year
- Best practice document for alchemical free energy calculations going to livecoms journal☆80Updated last week
- A fast solver for large scale MBAR/UWHAM equations☆40Updated last year
- OpenMM plugin to interface with PLUMED☆72Updated last month
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆34Updated 6 months ago
- ☆58Updated last week
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆33Updated last year
- Dihedral scanner with wavefront propagation☆36Updated 7 months ago
- Main code repository for FATSLiM☆23Updated 3 years ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆72Updated 2 years ago
- LOOS: a lightweight object-oriented structure analysis library☆126Updated 2 months ago
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Updated 7 years ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆45Updated last year
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆57Updated this week
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆71Updated 3 weeks ago
- Automatic MARTINI parametrization of small organic molecules☆71Updated 6 months ago
- 📐 Symmetry-corrected RMSD in Python☆109Updated 3 months ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆72Updated last year
- A comprehensive toolkit for predicting free energies☆58Updated 11 months ago
- Package for consistent reporting of relative free energy results☆40Updated this week
- MDANCE: O(N) clustering for molecular dynamics. Process 1.5M frames in 40min. 8 specialized algorithms.☆96Updated 3 weeks ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆133Updated last month
- Martini 3 small molecule database☆68Updated 2 months ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 3 weeks ago
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆145Updated last week