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Automatic MARTINI parametrization of small organic molecules
Mapping from Coarse Grain Models to Atomistic (and Back)
learning coarse-grained force fields
Geometric super-resolution for molecular geometries
Analysis of contacts in molecular dynamics trajectories
A Tool to process the result files of GMX MD.
Molecular structure simulation tool for lignin macromolecule
VMD Plugin and associated scripts to build lignin structures from topological specifications
Lignin Structure Determination with Multiscale Graph Modeling
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Get access to our MD data files.
Raw data, scripts and resources use to prepare paper Coarse‐grained molecular dynamics simulations of polymerization with forward and backward reactions (10.1002/jcc.25348)
rdkit总结与实践
All GROMACS/NAMD initializing files for generating initial structures for polydisperse chains with a set of residues desired by the user. With LigninBuilder, all lignin topologies can be built directly.
Neural network potentials based on graph neural networks and equivariant transformers
Installable VMD as a python module
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.