cadet / CADET-RDMLinks
Research Data Management (RDM) tool for computer simulations: track and version control of input data, code and software versions, output data.
☆18Updated last week
Alternatives and similar repositories for CADET-RDM
Users that are interested in CADET-RDM are comparing it to the libraries listed below
Sorting:
- Semi-analytic "arbitrary precision" branch of CADET utilizing analytical solutions in Laplace domain and numerical inversion for models w…☆17Updated 5 months ago
- Training materials of the CADET-Workshop for tutorials and self-study.☆18Updated last month
- File based Python interface☆19Updated 2 weeks ago
- A Framework for Modelling and Optimizing Advanced Chromatographic Processes☆28Updated last week
- Julia implementation of the Discontinuous Galerkin Spectral Element method (DGSEM) from CADET-Core.☆27Updated 2 months ago
- The heart of CADET. A modular, fast, and accurate modeling and simulation framework for biotechnology processes.☆73Updated this week
- Tool for parameter estimation and uncertainty quantification.☆11Updated 6 months ago
- A tool to optimize real world problems☆99Updated last month
- A Universal Modeling Language for Metabolic Flux Analysis☆12Updated 3 months ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆152Updated last month
- Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions☆31Updated 3 years ago
- Optimising chemical reactions using machine learning☆129Updated 9 months ago
- Conversion tool for molecular simulations☆199Updated 11 months ago
- Bayesian Optimization and Design of Experiments☆363Updated this week
- ☆10Updated 3 years ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆201Updated last week
- ☆125Updated last year
- Interactive tutorials and documentation for file based Python interface.☆11Updated 2 months ago
- Catalog of Open Source Molecular Modeling Projects☆101Updated 4 months ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 3 years ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆53Updated 9 months ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆63Updated last week
- Collective variables library for molecular simulation and analysis programs☆223Updated last week
- VMD plugin for manipulating topology information☆36Updated this week
- Packmol - Initial configurations for molecular dynamics simulations☆273Updated 2 weeks ago
- A Python module for processing NMR spectra.☆26Updated 2 weeks ago
- a package to simulate fluid surfaces and biomembranes☆32Updated 2 weeks ago
- Describe and apply transformation on molecular structures and topologies☆113Updated 2 weeks ago
- Biomolecular simulation trajectory/data analysis.☆150Updated 2 weeks ago
- 📖 mmCIF support for hybrid/integrative models☆22Updated 2 months ago