mjohn218 / NERDSS
NonEquilibrium Reaction-Diffusion Self-assembly Simulator
☆14Updated last month
Alternatives and similar repositories for NERDSS
Users that are interested in NERDSS are comparing it to the libraries listed below
Sorting:
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆15Updated last week
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆11Updated last week
- kinetic isotope effect prediction with Gaussian☆15Updated 2 years ago
- ☆25Updated last year
- a toolbox for the manipulation, modelling and analysis of molecular structures☆27Updated 6 months ago
- CHAP is a tool for the functional annotation of ion channel structures:☆21Updated last year
- Python / C++ based particle reaction-diffusion simulator☆59Updated 2 years ago
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆11Updated 15 years ago
- a package to simulate fluid surfaces and biomembranes☆31Updated last week
- A step-by-step tutorial to run Molecular Dynamics Simulations with enhanced sampling of a pepitide using PLUMED implemented in GROMACS to…☆14Updated last year
- MaxEnt code for fitting simulation outcomes/statistical models to observations☆16Updated 2 years ago
- Printing text using protein structures☆13Updated 3 years ago
- Python package built around protein structure and dynamics. OpenBabel-inspired objects.☆36Updated 10 months ago
- ☆18Updated 7 years ago
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆16Updated 2 years ago
- ☆32Updated last year
- ☆27Updated last year
- VMD Audio/Text control with natural language☆19Updated 4 years ago
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Updated 8 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆17Updated last year
- Modeling molecular ensembles with scalable data structures and parallel computing☆34Updated last week
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆37Updated last month
- Robust and stable clustering of molecular dynamics simulation trajectories.☆18Updated 2 years ago
- NAMD's psfgen + Python improvements☆15Updated 8 months ago
- Force Distribution Analysis (FDA) for GROMACS☆32Updated 10 months ago
- Workshop - Analysis of Molecular Dynamics Simulation Using Python☆17Updated 4 years ago
- Statistical Mechanics for Chemistry and Biology☆12Updated last week
- chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search☆21Updated 5 months ago
- ☆40Updated last year
- TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…☆12Updated 4 months ago