Topic: coarse-graining Goto Github
Some thing interesting about coarse-graining
Some thing interesting about coarse-graining
coarse-graining,Code for the paper "Conditional Normalizing Flows for Active Learning of Coarse-Grained Molecular Representations" (ICML 2024)
Organization: aimat-lab
Home Page: https://arxiv.org/abs/2402.01195
coarse-graining,The Active Matter Evaluation Package (AMEP) - a Python library for the analysis of particle-based and continuum simulation data of soft and active matter systems
Organization: amepproject
Home Page: https://amepproject.de/
coarse-graining,A toolkit for working with coarse-grain systems
Organization: cmelab
Home Page: https://grits.readthedocs.io
coarse-graining,Python scripts for the application of dissipation-corrected targeted molecular dynamics analysis.
User: flowneffets
coarse-graining,Collaborative repository to analyse various coarse-graining methods for networks.
User: gabriele-di-bona
coarse-graining,Coarse-graining of large single-cell RNA-seq data into metacells
Organization: gfellerlab
coarse-graining,A C++ implementation of the Smith - Waterman algorithm. The system consists of 3 different implementations: the one is sequential, while the other two parallelize the execution in a coarse and a fine level respectively, with the use of multithreading.
User: giorgapost
coarse-graining,Coarse-grained model of titrating peptides interacting with lipid bilayers
User: gitesei
coarse-graining,Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
Organization: gmpavanlab
Home Page: https://pubs.acs.org/doi/10.1021/acsomega.0c05469
coarse-graining,Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (bottom-up) and experimental data (top-down)
Organization: gmpavanlab
Home Page: https://arxiv.org/abs/2107.01012
coarse-graining,[TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
User: kyonofx
coarse-graining,Code for analysing coarse grain interaction in Protein-SSDna complexes.
User: m4marvin
coarse-graining,Trajectory matching and Bayesian parametrisation to construct coarse-grained force field for polymer systems
User: markjenei94
coarse-graining,Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
Organization: marrink-lab
coarse-graining,This is a tool to generate GROMACS input files using the SAFT-gamma Mie forcefield. The input files contain all information except the angle and torsion potentials, so add accordingly.
User: mazfayaz
coarse-graining,Analysis from the point of view of network science of the connectome of the drosophila
User: mballarin97
coarse-graining,a repo for describing how different selections of degrees of freedom affect the amount of information retained about the full system
User: mgiulini
coarse-graining,MicMec, the first implementation of the micromechanical model, ever.
Organization: molmod
Home Page: https://jlvdwall.github.io/micmec/
coarse-graining,Code for solving modified Gaussian renormalized fluctuation theory for a single charged surface
User: nikhil0165
coarse-graining,Code for solving modified Gaussian renormalized fluctutation theory for a system of two charged plates
User: nikhil0165
coarse-graining,A coarse-grained analysis of the Recoverin protein for the exam of Multiscale Methods
User: peppone98
coarse-graining,Algorithm designed to aggregate non-bounded MD (water) molecules in order to map their parameters into the coarse-grained model.
User: ppieczywek
coarse-graining,Mapping small-molecules to Martini 3 coarse-grained representations
User: ricalessandri
coarse-graining,Martini 3 small-molecule database
User: ricalessandri
Home Page: https://doi.org/10.1002/adts.202100391
coarse-graining,Constructing coarse grained super-dimers on the Ammann-Beenker quasicrystal with RSMI-NE.
Organization: rsmi-ne
coarse-graining,SIRAH Force Field
User: sirahff
Home Page: https://sirahff.github.io/documentation/
coarse-graining,Tools for coarse-grained molecular dynamics simulations using the SPICA force field
Organization: spica-group
Home Page: https://spica-group.github.io/spica-tools/
coarse-graining,The source of the votca-csg and xtp packages
Organization: votca
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.