rs-station / reciprocalspaceshipLinks
Tools for exploring reciprocal space
☆34Updated last week
Alternatives and similar repositories for reciprocalspaceship
Users that are interested in reciprocalspaceship are comparing it to the libraries listed below
Sorting:
- Flexible storage of chemical topology for molecular simulation☆67Updated last week
- ☆61Updated 6 months ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆86Updated this week
- Physical validation of molecular simulations☆57Updated 3 weeks ago
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Updated 7 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- A python module for manipulating cartesian and internal coordinates.☆86Updated this week
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆105Updated last year
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆58Updated last week
- MDAnalysis tool to calculate membrane curvature.☆35Updated 6 months ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆209Updated this week
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆48Updated last year
- MDAnalysis home page mdanalysis.org as GitHub pages.☆15Updated last month
- An open source Python framework for transition interface and path sampling calculations.☆116Updated last month
- Main code repository for FATSLiM☆23Updated 3 years ago
- High level API for using machine learning models in OpenMM simulations☆141Updated this week
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆117Updated 7 years ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆46Updated last year
- 📐 Symmetry-corrected RMSD in Python☆110Updated last month
- LOOS: a lightweight object-oriented structure analysis library☆127Updated 3 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆32Updated 3 months ago
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year
- Reads Gromacs EDR file to populate a pandas dataframe☆33Updated 3 months ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆31Updated last month
- An example of how to write a plugin for OpenMM☆31Updated 2 years ago
- Dihedral scanner with wavefront propagation☆35Updated 8 months ago
- ☆86Updated 3 months ago
- MD trajectory server☆35Updated 2 years ago
- A fast solver for large scale MBAR/UWHAM equations☆40Updated last year
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆72Updated last week